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| SMILES: | Clc1ccc(cc1)C(NC(=O)N)CC(=O)NCc1ccc(S(=O)(=O)N)cc1 |
| InChI: | InChI=1/C17H19ClN4O4S/c18-13-5-3-12(4-6-13)15(22-17(19)24)9-16(23)21-10-11-1-7-14(8-2-11)27(20,25)26/h1-8,15H,9-10H2,(H,21,23)(H3,19,22,24)(H2,20,25,26)/t15-/m0/s1 |
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Potential Energy Epot(MMFF94)=-8.13486 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 410.882 g/mol | logS: -4.26151 | SlogP: 1.7652 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0604409 | Sterimol/B1: 2.43799 | Sterimol/B2: 5.31997 | Sterimol/B3: 5.36055 | |||
| Sterimol/B4: 5.98225 | Sterimol/L: 19.9982 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 670.673 | Positive charged surface: 355.164 | Negative charged surface: 315.51 | Volume: 349 | |||
| Hydrophobic surface: 385.304 | Hydrophilic surface: 285.369 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | 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
