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ASINEX-ZINC01581332

 MMsINC code: MMs00255349
Type: Neutral
Formula: C6H4Cl2N4
SMILES:   Clc1nc(Cl)nc2ncn(c12)C
InChI:   InChI=1/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.116369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.032 g/mol  logS: -3.74753  SlogP: 2.0293  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0214493  Sterimol/B1: 2.10001  Sterimol/B2: 2.51289  Sterimol/B3: 4.15382
  Sterimol/B4: 4.61845  Sterimol/L: 11.2543 
 
 Surface and Volume Properties
  Accessible surface: 342.86  Positive charged surface: 154.896  Negative charged surface: 187.965  Volume: 153.5
  Hydrophobic surface: 260.08  Hydrophilic surface: 82.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.