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MAYBRIDGE-ZINC00102063

 MMsINC code: MMs02131924
Type: Neutral
Formula: C13H6Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1N1C(=O)c2c(cncc2)C1=O
InChI:   InChI=1/C13H6Cl2N2O2/c14-7-1-2-11(10(15)5-7)17-12(18)8-3-4-16-6-9(8)13(17)19/h1-6H

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Potential Energy
Epot(MMFF94)=65.9931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.109 g/mol  logS: -3.96903  SlogP: 3.189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105773  Sterimol/B1: 2.42397  Sterimol/B2: 3.88304  Sterimol/B3: 4.13815
  Sterimol/B4: 5.94916  Sterimol/L: 14.9829 
 
 Surface and Volume Properties
  Accessible surface: 455.009  Positive charged surface: 198  Negative charged surface: 257.01  Volume: 235.875
  Hydrophobic surface: 371.108  Hydrophilic surface: 83.901
 
 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.