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CHEMBRIDGE-ZINC04010581 |
MMsINC code: MMs00758879 |
Type: Neutral Formula: C24H30O5
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Potential Energy Epot(MMFF94)=148.743 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 398.499 g/mol | logS: -3.30055 | SlogP: 3.9133 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.137564 | Sterimol/B1: 2.43383 | Sterimol/B2: 2.61018 | Sterimol/B3: 4.64292 | |||
Sterimol/B4: 9.64609 | Sterimol/L: 15.6141 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 590.055 | Positive charged surface: 394.855 | Negative charged surface: 195.199 | Volume: 378.5 | |||
Hydrophobic surface: 430.851 | Hydrophilic surface: 159.204 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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