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NCID-ZINC05493228 |
MMsINC code: MMs02466656 |
Type: Neutral Formula: C31H38O12
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Potential Energy Epot(MMFF94)=356.195 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 602.633 g/mol | logS: -5.00852 | SlogP: 2.2091 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.142208 | Sterimol/B1: 2.44068 | Sterimol/B2: 3.00398 | Sterimol/B3: 6.6499 | |||
Sterimol/B4: 9.57951 | Sterimol/L: 17.7318 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 756.92 | Positive charged surface: 440.467 | Negative charged surface: 316.453 | Volume: 529.5 | |||
Hydrophobic surface: 563.087 | Hydrophilic surface: 193.833 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 7 | 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: 2 | Oprea's lead like rule: 0 |
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