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FDA-ZINC03830294 |
MMsINC code: MMs01726085 |
Type: Neutral Formula: C28H37FO7
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Potential Energy Epot(MMFF94)=241.009 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 504.595 g/mol | logS: -4.81881 | SlogP: 4.0933 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.236472 | Sterimol/B1: 2.37992 | Sterimol/B2: 3.24317 | Sterimol/B3: 7.38184 | |||
Sterimol/B4: 9.13246 | Sterimol/L: 15.066 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 691.267 | Positive charged surface: 449.219 | Negative charged surface: 242.048 | Volume: 465.125 | |||
Hydrophobic surface: 483.331 | Hydrophilic surface: 207.936 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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: 1 | Oprea's lead like rule: 1 |
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