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PUBCHEM-ZINC00716863 |
MMsINC code: MMs02732658 |
Type: Neutral Formula: C25H38O3
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Potential Energy Epot(MMFF94)=215.371 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 386.576 g/mol | logS: -5.87642 | SlogP: 5.7222 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.172183 | Sterimol/B1: 2.78563 | Sterimol/B2: 4.56845 | Sterimol/B3: 5.59837 | |||
Sterimol/B4: 6.2905 | Sterimol/L: 15.3104 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 580.021 | Positive charged surface: 396.874 | Negative charged surface: 183.147 | Volume: 395.625 | |||
Hydrophobic surface: 465.341 | Hydrophilic surface: 114.68 | |||||
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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