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PUBCHEM-ZINC01082871 |
MMsINC code: MMs02766188 |
Type: Neutral Formula: C21H28O4
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Potential Energy Epot(MMFF94)=163.494 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 344.451 g/mol | logS: -4.25627 | SlogP: 2.4427 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.147904 | Sterimol/B1: 2.03388 | Sterimol/B2: 4.61599 | Sterimol/B3: 4.69675 | |||
Sterimol/B4: 5.80071 | Sterimol/L: 14.9785 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 534.906 | Positive charged surface: 357.149 | Negative charged surface: 177.757 | Volume: 334.125 | |||
Hydrophobic surface: 344.587 | Hydrophilic surface: 190.319 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | 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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