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NCID-ZINC05759371 |
MMsINC code: MMs02495350 |
Type: Neutral Formula: C27H30O16
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Potential Energy Epot(MMFF94)=235.176 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 610.521 g/mol | logS: -2.78613 | SlogP: -1.8788 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.262998 | Sterimol/B1: 2.12368 | Sterimol/B2: 4.98698 | Sterimol/B3: 6.01118 | |||
Sterimol/B4: 10.1025 | Sterimol/L: 17.746 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 784.357 | Positive charged surface: 542.403 | Negative charged surface: 241.953 | Volume: 504 | |||
Hydrophobic surface: 372.49 | Hydrophilic surface: 411.867 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 10 | Hydrogen bond acceptors: 15 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 3 | Oprea's lead like rule: 0 |
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