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NCID-ZINC05410019 |
MMsINC code: MMs02459827 |
Type: Neutral Formula: C24H32O10
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Potential Energy Epot(MMFF94)=178.961 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 480.51 g/mol | logS: -3.73193 | SlogP: 1.387 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.147258 | Sterimol/B1: 2.5045 | Sterimol/B2: 4.09127 | Sterimol/B3: 6.18097 | |||
Sterimol/B4: 7.52777 | Sterimol/L: 19.0709 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 738.017 | Positive charged surface: 456.165 | Negative charged surface: 281.852 | Volume: 434.5 | |||
Hydrophobic surface: 465.838 | Hydrophilic surface: 272.179 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 6 | 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: 0 |
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