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ENAMINE-ZINC05078538 |
MMsINC code: MMs01584461 |
Type: Neutral Formula: C17H23NO4
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Potential Energy Epot(MMFF94)=77.0859 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 305.374 g/mol | logS: -3.76536 | SlogP: 2.4899 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0375141 | Sterimol/B1: 2.43414 | Sterimol/B2: 3.49267 | Sterimol/B3: 4.68217 | |||
Sterimol/B4: 4.8902 | Sterimol/L: 18.0661 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 564.18 | Positive charged surface: 380.203 | Negative charged surface: 183.977 | Volume: 301.5 | |||
Hydrophobic surface: 412.541 | Hydrophilic surface: 151.639 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | 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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