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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CNC(=O)C(CCC)c1ccccc1 |
| InChI: | InChI=1/C18H22N2O3S/c1-2-6-17(15-7-4-3-5-8-15)18(21)20-13-14-9-11-16(12-10-14)24(19,22)23/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)(H2,19,22,23)/t17-/m0/s1 |
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Potential Energy Epot(MMFF94)=33.0129 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 346.451 g/mol | logS: -4.8192 | SlogP: 2.8005 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0672426 | Sterimol/B1: 2.15991 | Sterimol/B2: 3.72646 | Sterimol/B3: 3.87141 | |||
| Sterimol/B4: 7.65622 | Sterimol/L: 18.5466 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 620.092 | Positive charged surface: 369.948 | Negative charged surface: 250.144 | Volume: 328.5 | |||
| Hydrophobic surface: 428.365 | Hydrophilic surface: 191.727 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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
