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PUBCHEM-ZINC03204648

 MMsINC code: MMs03007687
Type: Neutral
Formula: C13H5Cl3N2O2
SMILES:   Clc1cc2c(cc1)C(=O)N(C2=O)c1cc(Cl)nc(Cl)c1
InChI:   InChI=1/C13H5Cl3N2O2/c14-6-1-2-8-9(3-6)13(20)18(12(8)19)7-4-10(15)17-11(16)5-7/h1-5H

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Potential Energy
Epot(MMFF94)=50.7916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.554 g/mol  logS: -5.32584  SlogP: 3.8424  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.24884e-07  Sterimol/B1: 2.09812  Sterimol/B2: 2.10264  Sterimol/B3: 3.87195
  Sterimol/B4: 5.48984  Sterimol/L: 14.624 
 
 Surface and Volume Properties
  Accessible surface: 481.569  Positive charged surface: 136.787  Negative charged surface: 344.782  Volume: 250
  Hydrophobic surface: 381.237  Hydrophilic surface: 100.332
 
 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.