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NCID-ZINC04429067

 MMsINC code: MMs02387227
Type: Neutral
Formula: C6H7ClN5+
SMILES:   Clc1nc(NC)c2[nH]c[nH+]c2n1
InChI:   InChI=1/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)/p+1

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Potential Energy
Epot(MMFF94)=0.653728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.61 g/mol  logS: -2.8913  SlogP: 0.4671  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0157436  Sterimol/B1: 2.37818  Sterimol/B2: 2.37846  Sterimol/B3: 3.16928
  Sterimol/B4: 6.50188  Sterimol/L: 10.2147 
 
 Surface and Volume Properties
  Accessible surface: 359.26  Positive charged surface: 255.727  Negative charged surface: 103.533  Volume: 155.25
  Hydrophobic surface: 186.918  Hydrophilic surface: 172.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 3
  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


MMs02387228
NCID-ZINC04429067