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| SMILES: | Fc1ccc(NC(=O)C(N2C(=O)C3C(C4CC3CC4)C2=O)Cc2ccccc2)cc1 |
| InChI: | InChI=1/C24H23FN2O3/c25-17-8-10-18(11-9-17)26-22(28)19(12-14-4-2-1-3-5-14)27-23(29)20-15-6-7-16(13-15)21(20)24(27)30/h1-5,8-11,15-16,19-21H,6-7,12-13H2,(H,26,28)/t15-,16+,19-,20-,21+/m1/s1 |
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Potential Energy Epot(MMFF94)=122.49 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 406.457 g/mol | logS: -5.82301 | SlogP: 3.40657 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.10178 | Sterimol/B1: 2.92852 | Sterimol/B2: 3.81111 | Sterimol/B3: 3.97774 | |||
| Sterimol/B4: 10.0729 | Sterimol/L: 15.9955 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 618.886 | Positive charged surface: 360.222 | Negative charged surface: 258.664 | Volume: 376.375 | |||
| Hydrophobic surface: 552.926 | Hydrophilic surface: 65.96 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 5 | ||||||
| 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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Ions/Tautomers related molecules: no related molecules available.