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PUBCHEM-ZINC00395363

 MMsINC code: MMs02673027
Type: Neutral
Formula: C12H8Cl2N2O2
SMILES:   Clc1ccc(Cl)cc1NC(Oc1cccnc1)=O
InChI:   InChI=1/C12H8Cl2N2O2/c13-8-3-4-10(14)11(6-8)16-12(17)18-9-2-1-5-15-7-9/h1-7H,(H,16,17)

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Potential Energy
Epot(MMFF94)=66.3033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.114 g/mol  logS: -3.60656  SlogP: 3.9993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707776  Sterimol/B1: 2.47828  Sterimol/B2: 4.99625  Sterimol/B3: 5.03763
  Sterimol/B4: 5.26248  Sterimol/L: 14.2106 
 
 Surface and Volume Properties
  Accessible surface: 480.246  Positive charged surface: 229.198  Negative charged surface: 251.048  Volume: 233.625
  Hydrophobic surface: 418.259  Hydrophilic surface: 61.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.