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| SMILES: | O=C(NC(Cc1ccccc1)C(=O)NC(C(=O)[O-])C)c1ccccc1 |
| InChI: | InChI=1/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)/p-1/t13-,16+/m1/s1 |
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Potential Energy Epot(MMFF94)=76.5016 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 339.371 g/mol | logS: -4.11645 | SlogP: 0.28227 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0977529 | Sterimol/B1: 2.63458 | Sterimol/B2: 4.94282 | Sterimol/B3: 5.21715 | |||
| Sterimol/B4: 6.95659 | Sterimol/L: 15.9954 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 594.226 | Positive charged surface: 324.775 | Negative charged surface: 269.451 | Volume: 329.5 | |||
| Hydrophobic surface: 434.178 | Hydrophilic surface: 160.048 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| 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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