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CHEMSTAR-ZINC02097542

 MMsINC code: MMs01080263
Type: Neutral
Formula: C14H9Cl3N2O2
SMILES:   Clc1cccc(Cl)c1\C=N\NC(=O)c1cc(Cl)ccc1O
InChI:   InChI=1/C14H9Cl3N2O2/c15-8-4-5-13(20)9(6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21)/b18-7+

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Potential Energy
Epot(MMFF94)=95.4412 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: 0.00121734  Sterimol/B1: 2.14553  Sterimol/B2: 2.18344  Sterimol/B3: 3.8001
  Sterimol/B4: 5.73889  Sterimol/L: 16.4373 
 
 Surface and Volume Properties
  Accessible surface: 531.131  Positive charged surface: 218.296  Negative charged surface: 312.835  Volume: 275.625
  Hydrophobic surface: 432.494  Hydrophilic surface: 98.637
 
 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.