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PUBCHEM-ZINC05848125

 MMsINC code: MMs03415006
Type: Neutral
Formula: C13H10Cl2N2
SMILES:   Clc1ccc(N\N=C(\Cl)/c2ccccc2)cc1
InChI:   InChI=1/C13H10Cl2N2/c14-11-6-8-12(9-7-11)16-17-13(15)10-4-2-1-3-5-10/h1-9,16H/b17-13-

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Potential Energy
Epot(MMFF94)=66.8338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.143 g/mol  logS: -4.86124  SlogP: 4.3525  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.78225e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10303  Sterimol/B3: 3.26156
  Sterimol/B4: 5.89715  Sterimol/L: 15.589 
 
 Surface and Volume Properties
  Accessible surface: 477.148  Positive charged surface: 184.573  Negative charged surface: 292.575  Volume: 240.375
  Hydrophobic surface: 399.618  Hydrophilic surface: 77.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.