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ACROSORGANICS-ZINC01769175

 MMsINC code: MMs00011942
Type: Neutral
Formula: C5H3Cl2N4+
SMILES:   Clc1nc(Cl)nc2[nH+]c[nH]c12
InChI:   InChI=1/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)/p+1

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Potential Energy
Epot(MMFF94)=-0.501414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.013 g/mol  logS: -3.82913  SlogP: 1.0788  Reactive groups: 1
 
 Topological Properties
  Globularity: 1.54933e-08  Sterimol/B1: 2.0971  Sterimol/B2: 2.09744  Sterimol/B3: 3.29293
  Sterimol/B4: 5.38652  Sterimol/L: 10.5437 
 
 Surface and Volume Properties
  Accessible surface: 326.855  Positive charged surface: 148.246  Negative charged surface: 178.609  Volume: 139.25
  Hydrophobic surface: 166.807  Hydrophilic surface: 160.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs00011943
ACROSORGANICS-ZINC01769175