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CHEMBRIDGE-ZINC02285395

 MMsINC code: MMs00706141
Type: Neutral
Formula: C18H11ClF4N2O
SMILES:   Clc1cc(-c2nc(nc(c2)C(F)(F)C(F)F)-c2ccccc2)c(O)cc1
InChI:   InChI=1/C18H11ClF4N2O/c19-11-6-7-14(26)12(8-11)13-9-15(18(22,23)17(20)21)25-16(24-13)10-4-2-1-3-5-10/h1-9,17,26H

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Potential Energy
Epot(MMFF94)=95.7054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.744 g/mol  logS: -7.09885  SlogP: 6.2579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137202  Sterimol/B1: 2.59196  Sterimol/B2: 2.6851  Sterimol/B3: 3.04301
  Sterimol/B4: 9.4499  Sterimol/L: 15.4582 
 
 Surface and Volume Properties
  Accessible surface: 565.065  Positive charged surface: 202.938  Negative charged surface: 351.055  Volume: 307.375
  Hydrophobic surface: 388.55  Hydrophilic surface: 176.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.