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ENAMINE-ZINC06586077

 MMsINC code: MMs01678260
Type: Neutral
Formula: C20H18ClFN2O2
SMILES:   Clc1cccc(F)c1COC(=O)Cc1c(n(nc1C)-c1ccccc1)C
InChI:   InChI=1/C20H18ClFN2O2/c1-13-16(14(2)24(23-13)15-7-4-3-5-8-15)11-20(25)26-12-17-18(21)9-6-10-19(17)22/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=80.7059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.827 g/mol  logS: -5.40594  SlogP: 4.83391  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0331199  Sterimol/B1: 2.09349  Sterimol/B2: 3.09399  Sterimol/B3: 3.50866
  Sterimol/B4: 8.50295  Sterimol/L: 19.1128 
 
 Surface and Volume Properties
  Accessible surface: 635.871  Positive charged surface: 325.217  Negative charged surface: 310.654  Volume: 343
  Hydrophobic surface: 588.515  Hydrophilic surface: 47.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.