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ASINEX-ZINC00052590

 MMsINC code: MMs00065566
Type: Neutral
Formula: C15H9ClFNO2
SMILES:   Clc1cc2c(oc(C(=O)c3ccc(F)cc3)c2N)cc1
InChI:   InChI=1/C15H9ClFNO2/c16-9-3-6-12-11(7-9)13(18)15(20-12)14(19)8-1-4-10(17)5-2-8/h1-7H,18H2

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Potential Energy
Epot(MMFF94)=71.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.693 g/mol  logS: -5.80609  SlogP: 4.0385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000633638  Sterimol/B1: 2.15428  Sterimol/B2: 2.22519  Sterimol/B3: 3.76225
  Sterimol/B4: 5.42609  Sterimol/L: 15.4986 
 
 Surface and Volume Properties
  Accessible surface: 476.522  Positive charged surface: 216.289  Negative charged surface: 254.294  Volume: 246.125
  Hydrophobic surface: 396.566  Hydrophilic surface: 79.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.