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| SMILES: | S(=O)(=O)(NC1CCCCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 |
| InChI: | InChI=1/C19H23N3O3S/c23-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)26(24,25)22-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,22H,2,5-6,9-10H2,(H2,20,21,23) |
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Potential Energy Epot(MMFF94)=43.3777 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 373.477 g/mol | logS: -4.56117 | SlogP: 3.9416 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0787535 | Sterimol/B1: 3.26753 | Sterimol/B2: 3.51551 | Sterimol/B3: 4.96935 | |||
| Sterimol/B4: 7.013 | Sterimol/L: 17.7863 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 636.239 | Positive charged surface: 390.318 | Negative charged surface: 245.922 | Volume: 347.5 | |||
| Hydrophobic surface: 501.982 | Hydrophilic surface: 134.257 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.