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PUBCHEM-ZINC04691139

 MMsINC code: MMs03157746
Type: Neutral
Formula: C10H4Cl2N2O
SMILES:   Clc1cc(cc(Cl)c1O)C=C(C#N)C#N
InChI:   InChI=1/C10H4Cl2N2O/c11-8-2-6(1-7(4-13)5-14)3-9(12)10(8)15/h1-3,15H

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Potential Energy
Epot(MMFF94)=55.8726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.061 g/mol  logS: -3.73522  SlogP: 3.12957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331871  Sterimol/B1: 2.3053  Sterimol/B2: 3.48709  Sterimol/B3: 3.99945
  Sterimol/B4: 5.25142  Sterimol/L: 12.6031 
 
 Surface and Volume Properties
  Accessible surface: 407.979  Positive charged surface: 140.605  Negative charged surface: 267.374  Volume: 196.25
  Hydrophobic surface: 229.913  Hydrophilic surface: 178.066
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.