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NCID-ZINC05640506 |
MMsINC code: MMs02481783 |
Type: Neutral Formula: C31H32O14
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Potential Energy Epot(MMFF94)=188.24 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 628.583 g/mol | logS: -5.17184 | SlogP: 1.27197 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0586668 | Sterimol/B1: 3.48908 | Sterimol/B2: 5.07094 | Sterimol/B3: 6.81373 | |||
Sterimol/B4: 8.18174 | Sterimol/L: 21.2199 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 880.881 | Positive charged surface: 584.085 | Negative charged surface: 296.797 | Volume: 538.5 | |||
Hydrophobic surface: 563.727 | Hydrophilic surface: 317.154 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 12 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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