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NCID-ZINC05339487 |
MMsINC code: MMs02452482 |
Type: Neutral Formula: C28H46O
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Potential Energy Epot(MMFF94)=169.227 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 398.675 g/mol | logS: -9.81648 | SlogP: 7.5548 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0723169 | Sterimol/B1: 2.33928 | Sterimol/B2: 3.9304 | Sterimol/B3: 5.63119 | |||
Sterimol/B4: 6.76062 | Sterimol/L: 17.9809 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 668.688 | Positive charged surface: 498.738 | Negative charged surface: 169.95 | Volume: 442.375 | |||
Hydrophobic surface: 523.9 | Hydrophilic surface: 144.788 | |||||
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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