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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)CNC(=O)c1cc(cc(c1)C)C |
| InChI: | InChI=1/C19H23N3O4S/c1-13-9-14(2)11-16(10-13)19(24)22-12-18(23)21-8-7-15-3-5-17(6-4-15)27(20,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26) |
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Potential Energy Epot(MMFF94)=49.0045 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 389.476 g/mol | logS: -4.7074 | SlogP: 1.03951 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0194908 | Sterimol/B1: 1.969 | Sterimol/B2: 3.61698 | Sterimol/B3: 3.61884 | |||
| Sterimol/B4: 7.55605 | Sterimol/L: 22.9643 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 691.594 | Positive charged surface: 407.644 | Negative charged surface: 283.95 | Volume: 361.5 | |||
| Hydrophobic surface: 464.835 | Hydrophilic surface: 226.759 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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
