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| SMILES: | O(CCCNC(=O)c1cc(NC(=O)Nc2c(cccc2C)C)ccc1N(C)C)CC |
| InChI: | InChI=1/C23H32N4O3/c1-6-30-14-8-13-24-22(28)19-15-18(11-12-20(19)27(4)5)25-23(29)26-21-16(2)9-7-10-17(21)3/h7,9-12,15H,6,8,13-14H2,1-5H3,(H,24,28)(H2,25,26,29) |
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Potential Energy Epot(MMFF94)=155.168 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 412.534 g/mol | logS: -4.31815 | SlogP: 4.16984 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0622703 | Sterimol/B1: 2.02404 | Sterimol/B2: 4.52293 | Sterimol/B3: 4.64859 | |||
| Sterimol/B4: 11.6054 | Sterimol/L: 21.4682 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 772.321 | Positive charged surface: 578.286 | Negative charged surface: 194.035 | Volume: 419 | |||
| Hydrophobic surface: 671.162 | Hydrophilic surface: 101.159 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | 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: no related molecules available.