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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)CCC(=O)c1cc(ccc1OC)C |
| InChI: | InChI=1/C20H24N2O5S/c1-14-3-9-19(27-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(7-5-15)28(21,25)26/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)(H2,21,25,26) |
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Potential Energy Epot(MMFF94)=55.8698 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 404.487 g/mol | logS: -4.20648 | SlogP: 1.97279 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0193785 | Sterimol/B1: 1.969 | Sterimol/B2: 3.61702 | Sterimol/B3: 3.61865 | |||
| Sterimol/B4: 8.80987 | Sterimol/L: 22.1941 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 714.178 | Positive charged surface: 457.934 | Negative charged surface: 256.244 | Volume: 374.625 | |||
| Hydrophobic surface: 504.335 | Hydrophilic surface: 209.843 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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
