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| SMILES: | S(=O)([O-])(=[NH])c1ccc(cc1)C(NC(=O)CNC(=O)C1CCCCC1)C |
| InChI: | InChI=1/C17H25N3O4S/c1-12(13-7-9-15(10-8-13)25(18,23)24)20-16(21)11-19-17(22)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H4,18,19,20,21,22,23,24)/p-1/t12-/m1/s1 |
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Potential Energy Epot(MMFF94)=32.4781 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 366.462 g/mol | logS: -4.13631 | SlogP: 1.6274 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0387277 | Sterimol/B1: 2.13952 | Sterimol/B2: 3.17297 | Sterimol/B3: 4.22248 | |||
| Sterimol/B4: 8.00461 | Sterimol/L: 20.0739 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 648.666 | Positive charged surface: 394.222 | Negative charged surface: 254.444 | Volume: 339.625 | |||
| Hydrophobic surface: 442.597 | Hydrophilic surface: 206.069 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 2 | Acid groups: 3 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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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