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| SMILES: | S(=O)(=O)(N)c1ccc(NC(=O)C(NC(=O)C)Cc2ccccc2)cc1 |
| InChI: | InChI=1/C17H19N3O4S/c1-12(21)19-16(11-13-5-3-2-4-6-13)17(22)20-14-7-9-15(10-8-14)25(18,23)24/h2-10,16H,11H2,1H3,(H,19,21)(H,20,22)(H2,18,23,24)/t16-/m1/s1 |
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Potential Energy Epot(MMFF94)=69.7626 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 361.422 g/mol | logS: -3.82288 | SlogP: 1.01987 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0330919 | Sterimol/B1: 2.12236 | Sterimol/B2: 2.84707 | Sterimol/B3: 3.39597 | |||
| Sterimol/B4: 8.52378 | Sterimol/L: 18.2721 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 608.199 | Positive charged surface: 334.494 | Negative charged surface: 273.705 | Volume: 324.75 | |||
| Hydrophobic surface: 411.236 | Hydrophilic surface: 196.963 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | 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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Ions/Tautomers related molecules
