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PUBCHEM-ZINC05134466 |
MMsINC code: MMs03209434 |
Type: Neutral Formula: C21H28O6
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Potential Energy Epot(MMFF94)=171.974 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 376.449 g/mol | logS: -1.74953 | SlogP: 0.8181 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.150648 | Sterimol/B1: 2.41573 | Sterimol/B2: 3.64744 | Sterimol/B3: 4.81094 | |||
Sterimol/B4: 6.40868 | Sterimol/L: 15.6233 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 552.248 | Positive charged surface: 388.629 | Negative charged surface: 163.619 | Volume: 343.75 | |||
Hydrophobic surface: 345.47 | Hydrophilic surface: 206.778 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | 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: 0 | Oprea's lead like rule: 1 |
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