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| SMILES: | S(=O)(=O)(N)c1ccc(NC(=O)C(NC(=O)N)Cc2ccccc2)cc1 |
| InChI: | InChI=1/C16H18N4O4S/c17-16(22)20-14(10-11-4-2-1-3-5-11)15(21)19-12-6-8-13(9-7-12)25(18,23)24/h1-9,14H,10H2,(H,19,21)(H3,17,20,22)(H2,18,23,24)/t14-/m1/s1 |
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Potential Energy Epot(MMFF94)=41.5301 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 362.41 g/mol | logS: -3.76273 | SlogP: 0.55207 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0330205 | Sterimol/B1: 2.63184 | Sterimol/B2: 3.38009 | Sterimol/B3: 3.62774 | |||
| Sterimol/B4: 6.96016 | Sterimol/L: 18.3011 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 595.809 | Positive charged surface: 335.891 | Negative charged surface: 259.918 | Volume: 317 | |||
| Hydrophobic surface: 331.01 | Hydrophilic surface: 264.799 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | 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
