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MICROSOURCE-ZINC03978425 |
MMsINC code: MMs02189083 |
Type: Ionized Formula: C32H49O4-
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Potential Energy Epot(MMFF94)=153.766 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 497.74 g/mol | logS: -9.50027 | SlogP: 6.4697 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.128837 | Sterimol/B1: 2.39902 | Sterimol/B2: 4.2669 | Sterimol/B3: 5.17655 | |||
Sterimol/B4: 9.88017 | Sterimol/L: 16.7162 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 726.013 | Positive charged surface: 500.451 | Negative charged surface: 225.562 | Volume: 524.125 | |||
Hydrophobic surface: 545.096 | Hydrophilic surface: 180.917 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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