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CHEMBLOCK-ZINC04717388

 MMsINC code: MMs00572526
Type: Neutral
Formula: C13H6Cl2N2O2
SMILES:   Clc1cc(N2C(=O)c3c(cncc3)C2=O)ccc1Cl
InChI:   InChI=1/C13H6Cl2N2O2/c14-10-2-1-7(5-11(10)15)17-12(18)8-3-4-16-6-9(8)13(17)19/h1-6H

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Potential Energy
Epot(MMFF94)=65.0375 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: 4.4088e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10017  Sterimol/B3: 2.82712
  Sterimol/B4: 5.97524  Sterimol/L: 14.9716 
 
 Surface and Volume Properties
  Accessible surface: 449.725  Positive charged surface: 205.147  Negative charged surface: 244.577  Volume: 234.5
  Hydrophobic surface: 362.964  Hydrophilic surface: 86.761
 
 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.