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MICROSOURCE-ZINC03977825 |
MMsINC code: MMs02188413 |
Type: Neutral Formula: C34H50O7
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Potential Energy Epot(MMFF94)=227.924 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 570.767 g/mol | logS: -7.86792 | SlogP: 6.8283 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.151599 | Sterimol/B1: 2.30949 | Sterimol/B2: 5.59474 | Sterimol/B3: 7.40989 | |||
Sterimol/B4: 7.66314 | Sterimol/L: 18.2846 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 778.131 | Positive charged surface: 508.269 | Negative charged surface: 269.862 | Volume: 549.125 | |||
Hydrophobic surface: 459.877 | Hydrophilic surface: 318.254 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | 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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