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ACROSORGANICS-ZINC01571020

 MMsINC code: MMs00009297
Type: Neutral
Formula: C4H2Cl2N2
SMILES:   Clc1nc(Cl)ncc1
InChI:   InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.24759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.98 g/mol  logS: -2.66932  SlogP: 1.7834  Reactive groups: 1
 
 Topological Properties
  Globularity: 5.73961e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09904  Sterimol/B3: 3.53617
  Sterimol/B4: 4.67384  Sterimol/L: 9.08891 
 
 Surface and Volume Properties
  Accessible surface: 281.005  Positive charged surface: 90.1848  Negative charged surface: 190.82  Volume: 112.625
  Hydrophobic surface: 234.938  Hydrophilic surface: 46.067
 
 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.