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PUBCHEM-ZINC06161391

 MMsINC code: MMs03572697
Type: Neutral
Formula: C10H7Cl3N2O
SMILES:   ClC(C(=O)C(Cl)Cl)c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C10H7Cl3N2O/c11-7(8(16)9(12)13)10-14-5-3-1-2-4-6(5)15-10/h1-4,7,9H,(H,14,15)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=46.7524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.538 g/mol  logS: -4.11788  SlogP: 3.731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112562  Sterimol/B1: 3.6262  Sterimol/B2: 3.66697  Sterimol/B3: 4.09227
  Sterimol/B4: 4.45642  Sterimol/L: 11.981 
 
 Surface and Volume Properties
  Accessible surface: 429.489  Positive charged surface: 156.504  Negative charged surface: 272.986  Volume: 216.625
  Hydrophobic surface: 208.558  Hydrophilic surface: 220.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.