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PUBCHEM-ZINC05227912 |
MMsINC code: MMs03225796 |
Type: Neutral Formula: C28H38O2
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Potential Energy Epot(MMFF94)=172.661 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 406.61 g/mol | logS: -9.00374 | SlogP: 7.0444 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0838722 | Sterimol/B1: 2.22046 | Sterimol/B2: 3.2146 | Sterimol/B3: 4.214 | |||
Sterimol/B4: 10.809 | Sterimol/L: 16.6891 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 667.545 | Positive charged surface: 453.428 | Negative charged surface: 214.116 | Volume: 429.25 | |||
Hydrophobic surface: 609.424 | Hydrophilic surface: 58.121 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | 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: 0 |
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