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ACROSORGANICS-ZINC01683310

 MMsINC code: MMs00010822
Type: Neutral
Formula: C5H4Cl2N2
SMILES:   Clc1nc(Cl)nc(c1)C
InChI:   InChI=1/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.28617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.007 g/mol  logS: -2.98271  SlogP: 2.09182  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0372143  Sterimol/B1: 2.09845  Sterimol/B2: 2.51209  Sterimol/B3: 4.63604
  Sterimol/B4: 4.7381  Sterimol/L: 8.49156 
 
 Surface and Volume Properties
  Accessible surface: 317.886  Positive charged surface: 105.458  Negative charged surface: 212.428  Volume: 127.75
  Hydrophobic surface: 272.247  Hydrophilic surface: 45.639
 
 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.