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ACROSORGANICS-ZINC00088600

 MMsINC code: MMs00003909
Type: Neutral
Formula: C6H7ClN2
SMILES:   Clc1ccc(NN)cc1
InChI:   InChI=1/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.0201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.589 g/mol  logS: -1.81998  SlogP: 1.6256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00683458  Sterimol/B1: 2.1258  Sterimol/B2: 2.18341  Sterimol/B3: 2.51172
  Sterimol/B4: 5.14504  Sterimol/L: 10.9773 
 
 Surface and Volume Properties
  Accessible surface: 311.82  Positive charged surface: 157.152  Negative charged surface: 154.668  Volume: 128.875
  Hydrophobic surface: 219.968  Hydrophilic surface: 91.852
 
 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.