MCULE-5396813937-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
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MCULE-1822896416-0
- Component type: Counter Ion
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MCULE-8534376696-0
- Component type: Counter Ion
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MCULE-8811478865-0
- Component type: Counter Ion
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MCULE-8955898379-0
- Component type: Counter Ion
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MCULE-8442109089-0
- Component type: Counter Ion
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MCULE-8534376696-1
- Component type: Counter Ion
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MCULE-6145550686-0
- Component type: Counter Ion
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MCULE-4654433556-0
- Component type: Counter Ion
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MCULE-5029578569-0
- Component type: Counter Ion
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MCULE-1822896416-1
- Component type: Counter Ion
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MCULE-3664709804-0
- Component type: Counter Ion
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MCULE-4826296912-0
- Component type: Counter Ion
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MCULE-2185126998-0
- Component type: Counter Ion
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MCULE-9373294872-0
- Component type: Counter Ion
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MCULE-8534376696-2
- Component type: Counter Ion
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MCULE-7463443285-0
- Component type: Counter Ion
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MCULE-1499784734-0
- Component type: Counter Ion
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MCULE-1057886100-0
- Component type: Counter Ion
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MCULE-7607570800-0
- Component type: Counter Ion
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MCULE-5921707862-0
- Component type: Counter Ion
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MCULE-9660249694-0
- Component type: Counter Ion
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MCULE-9741591698-0
- Component type: Counter Ion
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MCULE-4015985299-0
- Component type: Counter Ion
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MCULE-5600958804-0
- Component type: Counter Ion
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MCULE-3403868948-0
- Component type: Counter Ion
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MCULE-7986937036-0
- Component type: Counter Ion
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MCULE-6593567326-0
- Component type: Counter Ion
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MCULE-8866248957-0
- Component type: Counter Ion
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MCULE-6338239220-0
- Component type: Counter Ion
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MCULE-8579090557-0
- Component type: Counter Ion
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MCULE-5637652569-0
- Component type: Counter Ion
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MCULE-7845714288-0
- Component type: Counter Ion
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MCULE-6423920244-0
- Component type: Counter Ion
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MCULE-2701146260-0
- Component type: Counter Ion
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MCULE-1227580954-0
- Component type: Counter Ion
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MCULE-7986937036-1
- Component type: Counter Ion
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MCULE-7938922292-0
- Component type: Counter Ion
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MCULE-2701146260-1
- Component type: Counter Ion
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MCULE-1057886100-1
- Component type: Counter Ion
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MCULE-6792065086-0
- Component type: Counter Ion
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MCULE-9275583789-0
- Component type: Counter Ion
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MCULE-2498333913-0
- Component type: Counter Ion
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MCULE-6639647623-0
- Component type: Counter Ion
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MCULE-7835235837-0
- Component type: Counter Ion
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MCULE-6486417615-0
- Component type: Counter Ion
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MCULE-4346967435-0
- Component type: Counter Ion
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MCULE-7382174279-0
- Component type: Counter Ion
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MCULE-8905060145-0
- Component type: Counter Ion
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MCULE-5125990119-0
- Component type: Counter Ion
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MCULE-4047466485-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5396813937-0.sdf |
| SMILES | MCULE-5396813937-0.smiles |
| Standard InChI | MCULE-5396813937-0.inchi |
| InChIKey | MCULE-5396813937-0.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 39.948 |
| logP | 0.0 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 0.0 |
| Atoms | 1 |
| Rings | 0 |
| Heavy atoms | 1 |
| Hydrogen atoms | 0 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
