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PUBCHEM-ZINC02540752 |
MMsINC code: MMs02896537 |
Type: Ionized Formula: C20H30NO5-
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Potential Energy Epot(MMFF94)=45.5933 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 364.462 g/mol | logS: -4.29583 | SlogP: 2.30357 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0875138 | Sterimol/B1: 2.33599 | Sterimol/B2: 2.49134 | Sterimol/B3: 5.15393 | |||
Sterimol/B4: 9.58463 | Sterimol/L: 17.3968 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 654.31 | Positive charged surface: 426.268 | Negative charged surface: 228.043 | Volume: 373.625 | |||
Hydrophobic surface: 492.933 | Hydrophilic surface: 161.377 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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