MCULE-5142506228-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-7996605731-0
- Component type: Counter Ion
-
MCULE-8032393729-0
- Component type: Counter Ion
-
MCULE-5427071523-0
- Component type: Counter Ion
-
MCULE-4555662393-0
- Component type: Counter Ion
-
MCULE-4962587206-0
- Component type: Counter Ion
-
MCULE-5922186146-0
- Component type: Counter Ion
-
MCULE-3155800355-0
- Component type: Counter Ion
-
MCULE-3432892591-0
- Component type: Counter Ion
-
MCULE-1834349972-0
- Component type: Counter Ion
-
MCULE-5902898793-0
- Component type: Counter Ion
-
MCULE-3772427431-0
- Component type: Counter Ion
-
MCULE-9267328563-0
- Component type: Counter Ion
-
MCULE-5824322187-0
- Component type: Counter Ion
-
MCULE-1289538272-0
- Component type: Counter Ion
-
MCULE-3994271806-0
- Component type: Counter Ion
-
MCULE-8951292155-0
- Component type: Counter Ion
-
MCULE-6450156540-0
- Component type: Counter Ion
-
MCULE-6971198355-0
- Component type: Counter Ion
-
MCULE-6774438996-0
- Component type: Counter Ion
-
MCULE-9658469767-0
- Component type: Counter Ion
-
MCULE-7695909420-0
- Component type: Counter Ion
-
MCULE-6099340096-0
- Component type: Counter Ion
-
MCULE-3371339508-0
- Component type: Counter Ion
-
MCULE-4132571573-0
- Component type: Counter Ion
-
MCULE-1521238572-0
- Component type: Counter Ion
-
MCULE-3283813353-0
- Component type: Counter Ion
-
MCULE-9325232759-0
- Component type: Counter Ion
-
MCULE-5589660441-0
- Component type: Counter Ion
-
MCULE-3621475799-0
- Component type: Counter Ion
-
MCULE-3910134375-0
- Component type: Counter Ion
-
MCULE-8726922810-0
- Component type: Counter Ion
-
MCULE-5142394558-0
- Component type: Counter Ion
-
MCULE-9815383319-0
- Component type: Counter Ion
-
MCULE-7608363991-0
- Component type: Counter Ion
-
MCULE-2158395928-0
- Component type: Counter Ion
-
MCULE-1452227695-0
- Component type: Counter Ion
-
MCULE-8755152406-0
- Component type: Counter Ion
-
MCULE-4092168775-0
- Component type: Counter Ion
-
MCULE-2229996275-0
- Component type: Counter Ion
-
MCULE-9285963181-0
- Component type: Counter Ion
-
MCULE-1711325108-0
- Component type: Counter Ion
-
MCULE-5561543328-0
- Component type: Counter Ion
-
MCULE-9093180293-0
- Component type: Counter Ion
-
MCULE-9230206057-0
- Component type: Counter Ion
-
MCULE-2809437474-0
- Component type: Counter Ion
-
MCULE-3798150485-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5142506228-0.sdf |
| SMILES | MCULE-5142506228-0.smiles |
| Standard InChI | MCULE-5142506228-0.inchi |
| InChIKey | MCULE-5142506228-0.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 62.005 |
| logP | 0.2841 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 68.88 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 12.529 |
| Atoms | 4 |
| Rings | 0 |
| Heavy atoms | 4 |
| Hydrogen atoms | 0 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| 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 |
