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| SMILES: | S(=O)([O-])(=[NH])c1ccc(cc1)CCNC(=O)C(=O)Nc1cc(ccc1C)C |
| InChI: | InChI=1/C18H21N3O4S/c1-12-3-4-13(2)16(11-12)21-18(23)17(22)20-10-9-14-5-7-15(8-6-14)26(19,24)25/h3-8,11H,9-10H2,1-2H3,(H4,19,20,21,22,23,24,25)/p-1 |
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Potential Energy Epot(MMFF94)=63.4139 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 374.441 g/mol | logS: -4.4743 | SlogP: 1.57241 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.015306 | Sterimol/B1: 2.22292 | Sterimol/B2: 3.15015 | Sterimol/B3: 3.27164 | |||
| Sterimol/B4: 7.45464 | Sterimol/L: 20.8122 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 656.867 | Positive charged surface: 351.035 | Negative charged surface: 305.832 | Volume: 344.75 | |||
| Hydrophobic surface: 464.541 | Hydrophilic surface: 192.326 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 2 | 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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