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FDA-ZINC03831373 |
MMsINC code: MMs01727266 |
Type: Ionized Formula: C25H31O8-
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Potential Energy Epot(MMFF94)=99.1996 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 459.515 g/mol | logS: -3.98774 | SlogP: 0.6386 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0837487 | Sterimol/B1: 2.1433 | Sterimol/B2: 4.30872 | Sterimol/B3: 5.29079 | |||
Sterimol/B4: 6.03905 | Sterimol/L: 20.845 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 690.82 | Positive charged surface: 421.826 | Negative charged surface: 268.994 | Volume: 423.875 | |||
Hydrophobic surface: 400.486 | Hydrophilic surface: 290.334 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 2 | 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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