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PUBCHEM-ZINC01592731

 MMsINC code: MMs02815673
Type: Neutral
Formula: C10H11ClN2
SMILES:   ClCCCc1[nH]c2c(n1)cccc2
InChI:   InChI=1/C10H11ClN2/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=18.5373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.665 g/mol  logS: -2.63848  SlogP: 2.73427  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0390932  Sterimol/B1: 3.0662  Sterimol/B2: 3.38563  Sterimol/B3: 3.41168
  Sterimol/B4: 4.39218  Sterimol/L: 13.6559 
 
 Surface and Volume Properties
  Accessible surface: 411.624  Positive charged surface: 235.835  Negative charged surface: 175.789  Volume: 187.625
  Hydrophobic surface: 295.785  Hydrophilic surface: 115.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.