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| SMILES: | S(=O)([O-])(=[NH])c1ccc(cc1)CCNC(=O)C(=O)Nc1ccc(cc1)C(=O)N |
| InChI: | InChI=1/C17H18N4O5S/c18-15(22)12-3-5-13(6-4-12)21-17(24)16(23)20-10-9-11-1-7-14(8-2-11)27(19,25)26/h1-8H,9-10H2,(H6,18,19,20,21,22,23,24,25,26)/p-1 |
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Potential Energy Epot(MMFF94)=58.8831 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 389.412 g/mol | logS: -4.09203 | SlogP: 0.05447 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0147626 | Sterimol/B1: 2.96163 | Sterimol/B2: 3.12775 | Sterimol/B3: 3.43832 | |||
| Sterimol/B4: 4.86342 | Sterimol/L: 22.5678 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 652.801 | Positive charged surface: 338.141 | Negative charged surface: 314.66 | Volume: 336 | |||
| Hydrophobic surface: 345.302 | Hydrophilic surface: 307.499 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 3 | Acid groups: 3 | 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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