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| SMILES: | S(=O)(=O)(N1CCC(CC1)C(=O)NC1CCCc2c1cccc2)c1cc(ccc1)C(F)(F)F |
| InChI: | InChI=1/C23H25F3N2O3S/c24-23(25,26)18-7-4-8-19(15-18)32(30,31)28-13-11-17(12-14-28)22(29)27-21-10-3-6-16-5-1-2-9-20(16)21/h1-2,4-5,7-9,15,17,21H,3,6,10-14H2,(H,27,29)/t21-/m1/s1 |
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Potential Energy Epot(MMFF94)=70.4997 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 466.524 g/mol | logS: -5.50518 | SlogP: 4.70687 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0669303 | Sterimol/B1: 2.50005 | Sterimol/B2: 3.34809 | Sterimol/B3: 5.1833 | |||
| Sterimol/B4: 7.3716 | Sterimol/L: 19.8368 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 693.013 | Positive charged surface: 369.962 | Negative charged surface: 323.05 | Volume: 403.75 | |||
| Hydrophobic surface: 506.081 | Hydrophilic surface: 186.932 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | 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: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.