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PUBCHEM-ZINC05784763

 MMsINC code: MMs03384976
Type: Neutral
Formula: C12H10Cl2N2O
SMILES:   Clc1cc(Oc2cc(Cl)c(N)cc2)ccc1N
InChI:   InChI=1/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2

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Potential Energy
Epot(MMFF94)=78.6205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.131 g/mol  logS: -4.07793  SlogP: 3.9501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0975827  Sterimol/B1: 2.56273  Sterimol/B2: 3.76047  Sterimol/B3: 4.59597
  Sterimol/B4: 6.5399  Sterimol/L: 13.5897 
 
 Surface and Volume Properties
  Accessible surface: 461.122  Positive charged surface: 220.926  Negative charged surface: 240.196  Volume: 229.875
  Hydrophobic surface: 352.964  Hydrophilic surface: 108.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.