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| SMILES: | O(Cc1ccccc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)[O-])C |
| InChI: | InChI=1/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-1/t14-,17+/m0/s1 |
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Potential Energy Epot(MMFF94)=49.9083 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 369.397 g/mol | logS: -4.19327 | SlogP: 1.04507 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.105422 | Sterimol/B1: 2.2589 | Sterimol/B2: 4.05066 | Sterimol/B3: 6.26389 | |||
| Sterimol/B4: 7.08956 | Sterimol/L: 16.9233 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 645.946 | Positive charged surface: 366.112 | Negative charged surface: 279.834 | Volume: 353.25 | |||
| Hydrophobic surface: 462.849 | Hydrophilic surface: 183.097 | |||||
| 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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