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FDA-ZINC03830309 |
MMsINC code: MMs01726101 |
Type: Neutral Formula: C27H37FO6
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Potential Energy Epot(MMFF94)=246.404 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 476.585 g/mol | logS: -5.02941 | SlogP: 4.0567 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.15489 | Sterimol/B1: 2.21417 | Sterimol/B2: 3.9707 | Sterimol/B3: 4.29776 | |||
Sterimol/B4: 9.85458 | Sterimol/L: 16.0094 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 691.649 | Positive charged surface: 472.278 | Negative charged surface: 219.371 | Volume: 445.625 | |||
Hydrophobic surface: 464.163 | Hydrophilic surface: 227.486 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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