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| SMILES: | O1c2cc(ccc2OC1)CNC(=O)C(NC(=O)C1(CCCC1)c1ccccc1)CO |
| InChI: | InChI=1/C23H26N2O5/c26-14-18(21(27)24-13-16-8-9-19-20(12-16)30-15-29-19)25-22(28)23(10-4-5-11-23)17-6-2-1-3-7-17/h1-3,6-9,12,18,26H,4-5,10-11,13-15H2,(H,24,27)(H,25,28)/t18-/m0/s1 |
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Potential Energy Epot(MMFF94)=110.405 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 410.47 g/mol | logS: -4.61745 | SlogP: 2.287 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.045892 | Sterimol/B1: 2.48505 | Sterimol/B2: 3.28584 | Sterimol/B3: 4.00487 | |||
| Sterimol/B4: 8.29432 | Sterimol/L: 19.5048 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 677.839 | Positive charged surface: 449.993 | Negative charged surface: 227.846 | Volume: 388.125 | |||
| Hydrophobic surface: 525.364 | Hydrophilic surface: 152.475 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | 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: no related molecules available.