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ACROSORGANICS-ZINC06662107

 MMsINC code: MMs00019083
Type: Neutral
Formula: C7H5Cl2N3
SMILES:   Clc1cc(NN)c(Cl)cc1C#N
InChI:   InChI=1/C7H5Cl2N3/c8-5-2-7(12-11)6(9)1-4(5)3-10/h1-2,12H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.044 g/mol  logS: -2.9052  SlogP: 2.15068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00538955  Sterimol/B1: 2.097  Sterimol/B2: 2.20247  Sterimol/B3: 3.78913
  Sterimol/B4: 6.04119  Sterimol/L: 11.7249 
 
 Surface and Volume Properties
  Accessible surface: 360.592  Positive charged surface: 141.841  Negative charged surface: 218.751  Volume: 162
  Hydrophobic surface: 204.86  Hydrophilic surface: 155.732
 
 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.