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PUBCHEM-ZINC05943850

 MMsINC code: MMs03455163
Type: Neutral
Formula: C14H9Cl3N2O2
SMILES:   Clc1cc(Cl)ccc1\C=N\NC(=O)c1cc(Cl)ccc1O
InChI:   InChI=1/C14H9Cl3N2O2/c15-9-3-4-13(20)11(5-9)14(21)19-18-7-8-1-2-10(16)6-12(8)17/h1-7,20H,(H,19,21)/b18-7+

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Potential Energy
Epot(MMFF94)=94.8494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.597 g/mol  logS: -5.37907  SlogP: 4.1163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00118352  Sterimol/B1: 2.10249  Sterimol/B2: 2.2308  Sterimol/B3: 4.29841
  Sterimol/B4: 5.22941  Sterimol/L: 17.6402 
 
 Surface and Volume Properties
  Accessible surface: 534.479  Positive charged surface: 215.939  Negative charged surface: 318.54  Volume: 276.625
  Hydrophobic surface: 434.908  Hydrophilic surface: 99.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.