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ENAMINE-ZINC03150885

 MMsINC code: MMs01291400
Type: Neutral
Formula: C16H15FN2O3
SMILES:   Fc1ccc(OCC(=O)N\N=C\c2cc(OC)ccc2)cc1
InChI:   InChI=1/C16H15FN2O3/c1-21-15-4-2-3-12(9-15)10-18-19-16(20)11-22-14-7-5-13(17)6-8-14/h2-10H,11H2,1H3,(H,19,20)/b18-10+

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Potential Energy
Epot(MMFF94)=96.0356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.305 g/mol  logS: -3.96033  SlogP: 2.3634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00284498  Sterimol/B1: 2.37466  Sterimol/B2: 2.37629  Sterimol/B3: 3.1847
  Sterimol/B4: 4.94921  Sterimol/L: 20.9119 
 
 Surface and Volume Properties
  Accessible surface: 578.072  Positive charged surface: 355.419  Negative charged surface: 222.653  Volume: 282.875
  Hydrophobic surface: 473.23  Hydrophilic surface: 104.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules: no related molecules available.