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KEYORGANICS-ZINC01386488

 MMsINC code: MMs02096668
Type: Neutral
Formula: C14H12ClFN2O2
SMILES:   Clc1cccc(F)c1COc1ccc(cc1)C(=O)NN
InChI:   InChI=1/C14H12ClFN2O2/c15-12-2-1-3-13(16)11(12)8-20-10-6-4-9(5-7-10)14(19)18-17/h1-7H,8,17H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=84.5867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.713 g/mol  logS: -4.46448  SlogP: 2.928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540326  Sterimol/B1: 3.13447  Sterimol/B2: 3.90477  Sterimol/B3: 4.1776
  Sterimol/B4: 4.69928  Sterimol/L: 17.0787 
 
 Surface and Volume Properties
  Accessible surface: 508.65  Positive charged surface: 246.271  Negative charged surface: 262.38  Volume: 252.375
  Hydrophobic surface: 371.013  Hydrophilic surface: 137.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.