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| SMILES: | O(CC)c1ccccc1N(C(=O)CCCC(=O)Nc1ncccc1)CC(=O)NC1CCCCC1 |
| InChI: | InChI=1/C26H34N4O4/c1-2-34-22-14-7-6-13-21(22)30(19-25(32)28-20-11-4-3-5-12-20)26(33)17-10-16-24(31)29-23-15-8-9-18-27-23/h6-9,13-15,18,20H,2-5,10-12,16-17,19H2,1H3,(H,28,32)(H,27,29,31) |
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Potential Energy Epot(MMFF94)=114.835 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 466.582 g/mol | logS: -4.51744 | SlogP: 4.0712 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0914193 | Sterimol/B1: 2.51132 | Sterimol/B2: 6.59095 | Sterimol/B3: 6.87828 | |||
| Sterimol/B4: 7.59994 | Sterimol/L: 21.7326 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 801.754 | Positive charged surface: 584.347 | Negative charged surface: 217.408 | Volume: 464.25 | |||
| Hydrophobic surface: 677.006 | Hydrophilic surface: 124.748 | |||||
| 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: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.