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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)CNC(=O)c1ccccc1OCC |
| InChI: | InChI=1/C19H23N3O5S/c1-2-27-17-6-4-3-5-16(17)19(24)22-13-18(23)21-12-11-14-7-9-15(10-8-14)28(20,25)26/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26) |
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Potential Energy Epot(MMFF94)=62.7797 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 405.475 g/mol | logS: -4.13715 | SlogP: 0.82137 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0182226 | Sterimol/B1: 1.969 | Sterimol/B2: 3.61642 | Sterimol/B3: 3.61932 | |||
| Sterimol/B4: 8.31303 | Sterimol/L: 22.9586 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 707.184 | Positive charged surface: 436.314 | Negative charged surface: 270.87 | Volume: 370.875 | |||
| Hydrophobic surface: 461.231 | Hydrophilic surface: 245.953 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | 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
