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NCID-ZINC01606449

 MMsINC code: MMs02258403
Type: Neutral
Formula: C6H4Cl3N3O3
SMILES:   ClC(Cl)(Cl)C(=O)NC1=CNC(=O)NC1=O
InChI:   InChI=1/C6H4Cl3N3O3/c7-6(8,9)4(14)11-2-1-10-5(15)12-3(2)13/h1H,(H,11,14)(H2,10,12,13,15)

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Potential Energy
Epot(MMFF94)=48.5352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.475 g/mol  logS: -3.05893  SlogP: 0.5735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664008  Sterimol/B1: 2.52529  Sterimol/B2: 3.45163  Sterimol/B3: 3.51669
  Sterimol/B4: 5.09695  Sterimol/L: 12.3145 
 
 Surface and Volume Properties
  Accessible surface: 396.884  Positive charged surface: 118.351  Negative charged surface: 278.533  Volume: 185.125
  Hydrophobic surface: 42.6934  Hydrophilic surface: 354.1906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.