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NCID-ZINC05639518 |
MMsINC code: MMs02481329 |
Type: Neutral Formula: C21H28O2
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Potential Energy Epot(MMFF94)=143.646 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 312.453 g/mol | logS: -4.82763 | SlogP: 3.69081 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.122441 | Sterimol/B1: 2.31715 | Sterimol/B2: 2.85136 | Sterimol/B3: 4.90358 | |||
Sterimol/B4: 5.8214 | Sterimol/L: 16.1692 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 529.719 | Positive charged surface: 364.442 | Negative charged surface: 165.277 | Volume: 321.875 | |||
Hydrophobic surface: 454.24 | Hydrophilic surface: 75.479 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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: 0 | Oprea's lead like rule: 1 |
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