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ASINEX-ZINC04952163 |
MMsINC code: MMs00411743 |
Type: Neutral Formula: C24H25NO5
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Potential Energy Epot(MMFF94)=65.416 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 407.466 g/mol | logS: -4.71793 | SlogP: 3.68702 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.100816 | Sterimol/B1: 1.99072 | Sterimol/B2: 3.31015 | Sterimol/B3: 5.78654 | |||
Sterimol/B4: 11.5784 | Sterimol/L: 19.3267 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 707.966 | Positive charged surface: 405.638 | Negative charged surface: 302.327 | Volume: 392 | |||
Hydrophobic surface: 514.022 | Hydrophilic surface: 193.944 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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