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| SMILES: | FC(F)(C(F)(F)C(F)(F)F)C(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)[O-] |
| InChI: | InChI=1/C15H11F7N2O3/c16-13(17,14(18,19)15(20,21)22)12(27)24-10(11(25)26)5-7-6-23-9-4-2-1-3-8(7)9/h1-4,6,10,23H,5H2,(H,24,27)(H,25,26)/p-1/t10-/m0/s1 |
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Potential Energy Epot(MMFF94)=67.1627 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 399.242 g/mol | logS: -4.62834 | SlogP: 3.03767 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.151142 | Sterimol/B1: 2.183 | Sterimol/B2: 3.24489 | Sterimol/B3: 4.74095 | |||
| Sterimol/B4: 9.24069 | Sterimol/L: 12.8258 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 525.141 | Positive charged surface: 187.46 | Negative charged surface: 334.8 | Volume: 286.375 | |||
| Hydrophobic surface: 201.607 | Hydrophilic surface: 323.534 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 1 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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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