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FDA-ZINC03831372 |
MMsINC code: MMs01727263 |
Type: Neutral Formula: C25H32O8
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Potential Energy Epot(MMFF94)=146.995 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 460.523 g/mol | logS: -3.72729 | SlogP: 1.9733 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0856428 | Sterimol/B1: 2.94115 | Sterimol/B2: 5.1883 | Sterimol/B3: 5.2683 | |||
Sterimol/B4: 6.60347 | Sterimol/L: 18.9912 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 687.869 | Positive charged surface: 441.177 | Negative charged surface: 246.692 | Volume: 419.875 | |||
Hydrophobic surface: 384.166 | Hydrophilic surface: 303.703 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 7 | 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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