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ENAMINE-ZINC05445413 |
MMsINC code: MMs01614038 |
Type: Neutral Formula: C19H23NO5
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Potential Energy Epot(MMFF94)=76.25 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 345.395 g/mol | logS: -4.99065 | SlogP: 2.6674 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0382731 | Sterimol/B1: 2.68621 | Sterimol/B2: 2.95168 | Sterimol/B3: 4.62736 | |||
Sterimol/B4: 5.11544 | Sterimol/L: 20.8123 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 631.45 | Positive charged surface: 451.343 | Negative charged surface: 180.107 | Volume: 326.25 | |||
Hydrophobic surface: 484.955 | Hydrophilic surface: 146.495 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 0 | 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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