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PUBCHEM-ZINC05385276 |
MMsINC code: MMs03254433 |
Type: Tautomer Formula: C25H36O5
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Potential Energy Epot(MMFF94)=180.856 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 416.558 g/mol | logS: -4.97445 | SlogP: 4.4511 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.15777 | Sterimol/B1: 3.81824 | Sterimol/B2: 4.53105 | Sterimol/B3: 5.01228 | |||
Sterimol/B4: 5.90532 | Sterimol/L: 15.591 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 601.743 | Positive charged surface: 414.937 | Negative charged surface: 186.806 | Volume: 405.125 | |||
Hydrophobic surface: 394.656 | Hydrophilic surface: 207.087 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | 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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