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AURORAFEINCHEMIE-ZINC04038937 |
MMsINC code: MMs00463833 |
Type: Neutral Formula: C26H40O3
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Potential Energy Epot(MMFF94)=143.845 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 400.603 g/mol | logS: -7.01854 | SlogP: 6.1123 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0680553 | Sterimol/B1: 2.13952 | Sterimol/B2: 3.65009 | Sterimol/B3: 3.66498 | |||
Sterimol/B4: 8.06346 | Sterimol/L: 20.1343 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 667.059 | Positive charged surface: 479.197 | Negative charged surface: 187.862 | Volume: 420.625 | |||
Hydrophobic surface: 533.742 | Hydrophilic surface: 133.317 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 2 | 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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