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ACDBLOCKS-ZINC00085235

 MMsINC code: MMs00000061
Type: Neutral
Formula: C6H6Cl2N2
SMILES:   Clc1c(NN)cccc1Cl
InChI:   InChI=1/C6H6Cl2N2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,10H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.034 g/mol  logS: -2.55427  SlogP: 2.279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00711642  Sterimol/B1: 2.12885  Sterimol/B2: 2.18049  Sterimol/B3: 2.53251
  Sterimol/B4: 6.4186  Sterimol/L: 10.1695 
 
 Surface and Volume Properties
  Accessible surface: 328.484  Positive charged surface: 138.311  Negative charged surface: 190.172  Volume: 144.875
  Hydrophobic surface: 244.754  Hydrophilic surface: 83.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.