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| SMILES: | S(=O)(=O)(N)c1ccc(NC(=O)CC(=O)Nc2ccc(S(=O)(=O)N)cc2)cc1 |
| InChI: | InChI=1/C15H16N4O6S2/c16-26(22,23)12-5-1-10(2-6-12)18-14(20)9-15(21)19-11-3-7-13(8-4-11)27(17,24)25/h1-8H,9H2,(H,18,20)(H,19,21)(H2,16,22,23)(H2,17,24,25) |
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Potential Energy Epot(MMFF94)=41.2528 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 412.447 g/mol | logS: -3.91854 | SlogP: -0.0513 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0282651 | Sterimol/B1: 2.72764 | Sterimol/B2: 3.76554 | Sterimol/B3: 4.39231 | |||
| Sterimol/B4: 4.55025 | Sterimol/L: 20.8509 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 645.842 | Positive charged surface: 342.292 | Negative charged surface: 303.55 | Volume: 328.5 | |||
| Hydrophobic surface: 299.641 | Hydrophilic surface: 346.201 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | 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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