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PUBCHEM-ZINC03933038 |
MMsINC code: MMs03084800 |
Type: Neutral Formula: C23H30O4
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Potential Energy Epot(MMFF94)=192.804 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 370.489 g/mol | logS: -6.15567 | SlogP: 5.42602 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.121214 | Sterimol/B1: 2.71625 | Sterimol/B2: 3.42933 | Sterimol/B3: 3.99026 | |||
Sterimol/B4: 9.46512 | Sterimol/L: 14.5902 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 604.129 | Positive charged surface: 355.365 | Negative charged surface: 204.811 | Volume: 367 | |||
Hydrophobic surface: 464.572 | Hydrophilic surface: 139.557 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
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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