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PUBCHEM-ZINC05976385 |
MMsINC code: MMs03471853 |
Type: Neutral Formula: C21H30O4
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Potential Energy Epot(MMFF94)=137.661 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 346.467 g/mol | logS: -3.01283 | SlogP: 2.6651 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.155013 | Sterimol/B1: 2.76032 | Sterimol/B2: 3.62272 | Sterimol/B3: 4.39202 | |||
Sterimol/B4: 6.96058 | Sterimol/L: 14.497 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 530.337 | Positive charged surface: 364.663 | Negative charged surface: 165.675 | Volume: 339 | |||
Hydrophobic surface: 364.311 | Hydrophilic surface: 166.026 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | 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: 0 | Oprea's lead like rule: 1 |
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