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| SMILES: | Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NCCC=1CCCCC=1 |
| InChI: | InChI=1/C27H31FN2O4/c1-30-25(18-11-7-8-12-21(18)28)24(26(31)29-14-13-17-9-5-4-6-10-17)19-15-22(33-2)23(34-3)16-20(19)27(30)32/h7-9,11-12,15-16,24-25H,4-6,10,13-14H2,1-3H3,(H,29,31)/t24-,25+/m0/s1 |
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Potential Energy Epot(MMFF94)=113.393 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 466.553 g/mol | logS: -5.78701 | SlogP: 4.8556 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.166566 | Sterimol/B1: 2.33544 | Sterimol/B2: 2.40231 | Sterimol/B3: 8.06418 | |||
| Sterimol/B4: 9.77786 | Sterimol/L: 18.5471 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 759.321 | Positive charged surface: 563.28 | Negative charged surface: 196.04 | Volume: 449.125 | |||
| Hydrophobic surface: 680.169 | Hydrophilic surface: 79.152 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| 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.