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PUBCHEM-ZINC03093727

 MMsINC code: MMs02992533
Type: Neutral
Formula: C7H5Cl3N2O
SMILES:   ClC(Cl)(Cl)C(=O)Nc1ccncc1
InChI:   InChI=1/C7H5Cl3N2O/c8-7(9,10)6(13)12-5-1-3-11-4-2-5/h1-4H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=58.7679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.489 g/mol  logS: -2.73659  SlogP: 2.8102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532256  Sterimol/B1: 2.52491  Sterimol/B2: 2.79829  Sterimol/B3: 3.82214
  Sterimol/B4: 5.11513  Sterimol/L: 11.33 
 
 Surface and Volume Properties
  Accessible surface: 391.893  Positive charged surface: 150.584  Negative charged surface: 241.31  Volume: 178.5
  Hydrophobic surface: 167.894  Hydrophilic surface: 223.999
 
 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.