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NCID-ZINC04428533 |
MMsINC code: MMs02386859 |
Type: Neutral Formula: C19H28O2
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Potential Energy Epot(MMFF94)=123.055 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 288.431 g/mol | logS: -3.19747 | SlogP: 3.8792 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.134031 | Sterimol/B1: 2.00413 | Sterimol/B2: 4.24553 | Sterimol/B3: 4.47876 | |||
Sterimol/B4: 5.3845 | Sterimol/L: 14.1602 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 485.926 | Positive charged surface: 351.395 | Negative charged surface: 134.531 | Volume: 295.375 | |||
Hydrophobic surface: 360.895 | Hydrophilic surface: 125.031 | |||||
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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