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| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)c1n[nH]c(c1)-c1ccccc1O |
| InChI: | InChI=1/C18H18N4O4S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-18(24)16-11-15(21-22-16)14-3-1-2-4-17(14)23/h1-8,11,23H,9-10H2,(H,20,24)(H,21,22)(H2,19,25,26) |
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Potential Energy Epot(MMFF94)=51.7763 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 386.432 g/mol | logS: -4.20918 | SlogP: 1.40217 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0221057 | Sterimol/B1: 2.49731 | Sterimol/B2: 3.61573 | Sterimol/B3: 3.73479 | |||
| Sterimol/B4: 5.6652 | Sterimol/L: 22.6188 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 653.384 | Positive charged surface: 368.702 | Negative charged surface: 284.682 | Volume: 340.375 | |||
| Hydrophobic surface: 369.469 | Hydrophilic surface: 283.915 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 6 | 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
