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PUBCHEM-ZINC01648718

 MMsINC code: MMs02817639
Type: Neutral
Formula: C12H10Cl2N2O
SMILES:   ClC1(Cl)C2CCOC12n1c2c(nc1)cccc2
InChI:   InChI=1/C12H10Cl2N2O/c13-11(14)10-5-6-17-12(10,11)16-7-15-8-3-1-2-4-9(8)16/h1-4,7,10H,5-6H2/t10-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=55.4351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.131 g/mol  logS: -4.05949  SlogP: 3.6445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137505  Sterimol/B1: 3.49414  Sterimol/B2: 3.5264  Sterimol/B3: 4.59115
  Sterimol/B4: 4.93005  Sterimol/L: 12.2568 
 
 Surface and Volume Properties
  Accessible surface: 435.451  Positive charged surface: 212.752  Negative charged surface: 222.7  Volume: 230.75
  Hydrophobic surface: 293.581  Hydrophilic surface: 141.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.