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| SMILES: | Fc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2C(=O)[O-])cc1 |
| InChI: | InChI=1/C21H21FN2O4/c22-13-9-11-14(12-10-13)23-20(26)17-7-3-4-8-18(17)24-19(25)15-5-1-2-6-16(15)21(27)28/h3-4,7-12,15-16H,1-2,5-6H2,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16+/m0/s1 |
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Potential Energy Epot(MMFF94)=39.2641 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 383.399 g/mol | logS: -5.20401 | SlogP: 2.5728 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0893054 | Sterimol/B1: 2.44603 | Sterimol/B2: 3.33322 | Sterimol/B3: 4.65522 | |||
| Sterimol/B4: 10.1938 | Sterimol/L: 15.2649 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 595.867 | Positive charged surface: 336.702 | Negative charged surface: 259.165 | Volume: 351.125 | |||
| Hydrophobic surface: 506.685 | Hydrophilic surface: 89.182 | |||||
| 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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