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FDA-ZINC01481994 |
MMsINC code: MMs01725437 |
Type: Neutral Formula: C21H32O2
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Potential Energy Epot(MMFF94)=131.299 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 316.485 g/mol | logS: -5.3065 | SlogP: 4.5153 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.290264 | Sterimol/B1: 2.42177 | Sterimol/B2: 3.68851 | Sterimol/B3: 4.51329 | |||
Sterimol/B4: 7.76419 | Sterimol/L: 12.4206 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 508.991 | Positive charged surface: 350.066 | Negative charged surface: 158.925 | Volume: 332.625 | |||
Hydrophobic surface: 366.246 | Hydrophilic surface: 142.745 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
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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