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KEYORGANICS-ZINC01400756

 MMsINC code: MMs02106319
Type: Neutral
Formula: C15H9ClFNO3
SMILES:   Clc1cccc(F)c1CON1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C15H9ClFNO3/c16-12-6-3-7-13(17)11(12)8-21-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=67.9306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.692 g/mol  logS: -4.98646  SlogP: 3.4733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113998  Sterimol/B1: 2.49957  Sterimol/B2: 2.56961  Sterimol/B3: 3.31326
  Sterimol/B4: 5.42795  Sterimol/L: 15.837 
 
 Surface and Volume Properties
  Accessible surface: 493.609  Positive charged surface: 220.125  Negative charged surface: 273.484  Volume: 255.125
  Hydrophobic surface: 402.769  Hydrophilic surface: 90.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.