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IBS-ZINC03982478 |
MMsINC code: MMs01872578 |
Type: Neutral Formula: C28H44O
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Potential Energy Epot(MMFF94)=181.623 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 396.659 g/mol | logS: -9.60531 | SlogP: 7.3308 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.13522 | Sterimol/B1: 3.43322 | Sterimol/B2: 3.51063 | Sterimol/B3: 5.38416 | |||
Sterimol/B4: 7.68865 | Sterimol/L: 16.4069 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 664.527 | Positive charged surface: 489.13 | Negative charged surface: 175.397 | Volume: 440.25 | |||
Hydrophobic surface: 514.074 | Hydrophilic surface: 150.453 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | 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: 1 | Oprea's lead like rule: 1 |
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