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PUBCHEM-ZINC05761089 |
MMsINC code: MMs03374324 |
Type: Neutral Formula: C28H42O2
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Potential Energy Epot(MMFF94)=174.416 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 410.642 g/mol | logS: -9.24302 | SlogP: 6.6539 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0510538 | Sterimol/B1: 3.58969 | Sterimol/B2: 4.20518 | Sterimol/B3: 4.26612 | |||
Sterimol/B4: 4.85504 | Sterimol/L: 20.0436 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 674.382 | Positive charged surface: 490.641 | Negative charged surface: 183.74 | Volume: 441.5 | |||
Hydrophobic surface: 512.214 | Hydrophilic surface: 162.168 | |||||
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: 1 | Oprea's lead like rule: 1 |
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