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ENAMINE-ZINC04317683

 MMsINC code: MMs01538290
Type: Neutral
Formula: C19H18ClFN2O3
SMILES:   Clc1cccc(F)c1C1N(N=C(C1)c1cc(OC)c(OC)cc1)C(=O)C
InChI:   InChI=1/C19H18ClFN2O3/c1-11(24)23-16(19-13(20)5-4-6-14(19)21)10-15(22-23)12-7-8-17(25-2)18(9-12)26-3/h4-9,16H,10H2,1-3H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=114.707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.815 g/mol  logS: -4.89911  SlogP: 4.2894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0880895  Sterimol/B1: 2.06013  Sterimol/B2: 3.26871  Sterimol/B3: 4.99814
  Sterimol/B4: 7.9804  Sterimol/L: 16.1886 
 
 Surface and Volume Properties
  Accessible surface: 602.453  Positive charged surface: 383.608  Negative charged surface: 218.844  Volume: 335.5
  Hydrophobic surface: 545.614  Hydrophilic surface: 56.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.