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IBS-ZINC04064781 |
MMsINC code: MMs01878178 |
Type: Neutral Formula: C21H32O2
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Potential Energy Epot(MMFF94)=199.367 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 316.485 g/mol | logS: -5.16826 | SlogP: 4.5153 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.217643 | Sterimol/B1: 1.969 | Sterimol/B2: 3.23463 | Sterimol/B3: 4.88022 | |||
Sterimol/B4: 7.02505 | Sterimol/L: 13.9135 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 516.909 | Positive charged surface: 369.001 | Negative charged surface: 147.908 | Volume: 324.625 | |||
Hydrophobic surface: 400.937 | Hydrophilic surface: 115.972 | |||||
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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