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| SMILES: | S(=O)(=O)(N(C)c1ccccc1)c1cc(ccc1)C(=O)NC1CCCc2c1cccc2 |
| InChI: | InChI=1/C24H24N2O3S/c1-26(20-12-3-2-4-13-20)30(28,29)21-14-7-11-19(17-21)24(27)25-23-16-8-10-18-9-5-6-15-22(18)23/h2-7,9,11-15,17,23H,8,10,16H2,1H3,(H,25,27)/t23-/m1/s1 |
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Potential Energy Epot(MMFF94)=93.8274 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 420.533 g/mol | logS: -5.93719 | SlogP: 4.41457 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0782162 | Sterimol/B1: 3.17894 | Sterimol/B2: 4.09666 | Sterimol/B3: 6.1585 | |||
| Sterimol/B4: 6.38072 | Sterimol/L: 18.635 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 679.496 | Positive charged surface: 392.197 | Negative charged surface: 287.299 | Volume: 396.125 | |||
| Hydrophobic surface: 594.978 | Hydrophilic surface: 84.518 | |||||
| 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: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.