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NCID-ZINC04428532 |
MMsINC code: MMs02386858 |
Type: Neutral Formula: C19H28O2
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Potential Energy Epot(MMFF94)=99.8036 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 288.431 g/mol | logS: -3.19747 | SlogP: 3.8792 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.183841 | Sterimol/B1: 2.23227 | Sterimol/B2: 3.15027 | Sterimol/B3: 4.46709 | |||
Sterimol/B4: 6.18589 | Sterimol/L: 13.2419 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 479.047 | Positive charged surface: 353.844 | Negative charged surface: 125.204 | Volume: 297.375 | |||
Hydrophobic surface: 365.365 | Hydrophilic surface: 113.682 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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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