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NCID-ZINC05665361 |
MMsINC code: MMs02485783 |
Type: Neutral Formula: C30H36O13
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Potential Energy Epot(MMFF94)=254.258 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 604.605 g/mol | logS: -4.22368 | SlogP: 0.2762 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.121595 | Sterimol/B1: 2.53054 | Sterimol/B2: 2.91569 | Sterimol/B3: 6.63932 | |||
Sterimol/B4: 10.4949 | Sterimol/L: 17.6856 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 817.448 | Positive charged surface: 540.833 | Negative charged surface: 276.615 | Volume: 520.75 | |||
Hydrophobic surface: 531.232 | Hydrophilic surface: 286.216 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 9 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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