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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)C(=O)Nc1ccc(OCC)cc1 |
| InChI: | InChI=1/C18H21N3O5S/c1-2-26-15-7-5-14(6-8-15)21-18(23)17(22)20-12-11-13-3-9-16(10-4-13)27(19,24)25/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25) |
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Potential Energy Epot(MMFF94)=67.0326 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 391.448 g/mol | logS: -4.19311 | SlogP: 1.03007 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0170759 | Sterimol/B1: 3.15028 | Sterimol/B2: 3.4764 | Sterimol/B3: 4.04948 | |||
| Sterimol/B4: 4.29592 | Sterimol/L: 24.5675 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 682.829 | Positive charged surface: 406.146 | Negative charged surface: 276.683 | Volume: 349.625 | |||
| Hydrophobic surface: 421.938 | Hydrophilic surface: 260.891 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| 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
