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PUBCHEM-ZINC00407490

 MMsINC code: MMs02677519
Type: Neutral
Formula: C13H8Cl2N2O
SMILES:   Clc1cc(Cl)cc(-c2[nH]c3c(n2)cccc3)c1O
InChI:   InChI=1/C13H8Cl2N2O/c14-7-5-8(12(18)9(15)6-7)13-16-10-3-1-2-4-11(10)17-13/h1-6,18H,(H,16,17)

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Potential Energy
Epot(MMFF94)=49.1204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.126 g/mol  logS: -5.59687  SlogP: 4.2423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00229139  Sterimol/B1: 2.1185  Sterimol/B2: 2.19492  Sterimol/B3: 4.25672
  Sterimol/B4: 5.22767  Sterimol/L: 13.7624 
 
 Surface and Volume Properties
  Accessible surface: 465.305  Positive charged surface: 197.1  Negative charged surface: 268.205  Volume: 233.75
  Hydrophobic surface: 400.919  Hydrophilic surface: 64.386
 
 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.