MCULE-5932450224-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
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MCULE-5493227326-0
- Component type: Counter Ion
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MCULE-4595183882-0
- Component type: Counter Ion
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MCULE-6260552108-0
- Component type: Counter Ion
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MCULE-1458390792-0
- Component type: Counter Ion
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MCULE-1673214133-0
- Component type: Counter Ion
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MCULE-8521923177-0
- Component type: Counter Ion
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MCULE-4353856647-0
- Component type: Counter Ion
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MCULE-4564484851-0
- Component type: Counter Ion
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MCULE-1628917597-0
- Component type: Counter Ion
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MCULE-3358909127-0
- Component type: Counter Ion
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MCULE-9061017831-0
- Component type: Counter Ion
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MCULE-4229826166-0
- Component type: Counter Ion
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MCULE-2259267153-0
- Component type: Counter Ion
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MCULE-1752581854-0
- Component type: Counter Ion
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MCULE-1865639507-0
- Component type: Counter Ion
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MCULE-8997711711-0
- Component type: Counter Ion
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MCULE-7317331198-0
- Component type: Counter Ion
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MCULE-4268933065-0
- Component type: Counter Ion
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MCULE-2629315022-0
- Component type: Counter Ion
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MCULE-1355541443-0
- Component type: Counter Ion
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MCULE-9967170014-0
- Component type: Counter Ion
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MCULE-9571807561-0
- Component type: Counter Ion
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MCULE-2465316769-0
- Component type: Counter Ion
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MCULE-2592123199-0
- Component type: Counter Ion
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MCULE-3842205455-0
- Component type: Counter Ion
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MCULE-7837380486-0
- Component type: Counter Ion
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MCULE-6600672525-0
- Component type: Counter Ion
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MCULE-9338862076-0
- Component type: Counter Ion
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MCULE-5723319092-0
- Component type: Counter Ion
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MCULE-7554298157-0
- Component type: Counter Ion
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MCULE-7181928645-0
- Component type: Counter Ion
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MCULE-5196646810-0
- Component type: Counter Ion
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MCULE-1000478163-0
- Component type: Counter Ion
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MCULE-4657182270-0
- Component type: Counter Ion
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MCULE-1155315237-0
- Component type: Counter Ion
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MCULE-3000640856-0
- Component type: Counter Ion
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MCULE-9944708100-0
- Component type: Counter Ion
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MCULE-3260300210-0
- Component type: Counter Ion
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MCULE-6745263267-0
- Component type: Counter Ion
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MCULE-8316343371-0
- Component type: Counter Ion
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MCULE-1349823751-0
- Component type: Counter Ion
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MCULE-8091131175-0
- Component type: Counter Ion
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MCULE-4482924233-0
- Component type: Counter Ion
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MCULE-6679311160-0
- Component type: Counter Ion
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MCULE-9536496707-0
- Component type: Counter Ion
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MCULE-6132914143-0
- Component type: Counter Ion
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MCULE-7260804796-0
- Component type: Counter Ion
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MCULE-2973729270-0
- Component type: Counter Ion
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MCULE-3270674120-0
- Component type: Counter Ion
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MCULE-8201802196-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5932450224-0.sdf |
| SMILES | MCULE-5932450224-0.smiles |
| Standard InChI | MCULE-5932450224-0.inchi |
| InChIKey | MCULE-5932450224-0.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 39.098 |
| 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 |
