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IBS-ZINC02116338 |
MMsINC code: MMs01788853 |
Type: Ionized Formula: C24H37O3-
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Potential Energy Epot(MMFF94)=90.3116 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 373.557 g/mol | logS: -7.46017 | SlogP: 4.0925 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.112058 | Sterimol/B1: 2.05448 | Sterimol/B2: 3.62112 | Sterimol/B3: 5.18546 | |||
Sterimol/B4: 6.29381 | Sterimol/L: 18.9269 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 619.743 | Positive charged surface: 436.263 | Negative charged surface: 183.48 | Volume: 394.5 | |||
Hydrophobic surface: 422.872 | Hydrophilic surface: 196.871 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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: 0 | Oprea's lead like rule: 1 |
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