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PUBCHEM-ZINC02021693

 MMsINC code: MMs02856793
Type: Neutral
Formula: C11H14Cl2N2
SMILES:   Clc1cc(ccc1Cl)C1N(CCN1C)C
InChI:   InChI=1/C11H14Cl2N2/c1-14-5-6-15(2)11(14)8-3-4-9(12)10(13)7-8/h3-4,7,11H,5-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=56.9573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.153 g/mol  logS: -2.65237  SlogP: 2.9647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278957  Sterimol/B1: 2.3047  Sterimol/B2: 4.17745  Sterimol/B3: 4.34769
  Sterimol/B4: 6.11034  Sterimol/L: 12.0313 
 
 Surface and Volume Properties
  Accessible surface: 432.743  Positive charged surface: 269.833  Negative charged surface: 162.91  Volume: 224.125
  Hydrophobic surface: 425.782  Hydrophilic surface: 6.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.