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ASINEX-ZINC00349950

 MMsINC code: MMs00122337
Type: Neutral
Formula: C10H11N6+
SMILES:   [nH+]1c2c([nH]c1Cc1nc([nH]n1)N)cccc2
InChI:   InChI=1/C10H10N6/c11-10-14-9(15-16-10)5-8-12-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,12,13)(H3,11,14,15,16)/p+1

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Potential Energy
Epot(MMFF94)=12.8054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.24 g/mol  logS: -2.16788  SlogP: 0.27307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00590912  Sterimol/B1: 2.37534  Sterimol/B2: 2.38322  Sterimol/B3: 3.67313
  Sterimol/B4: 4.50098  Sterimol/L: 13.5694 
 
 Surface and Volume Properties
  Accessible surface: 423.624  Positive charged surface: 303.76  Negative charged surface: 119.864  Volume: 198.375
  Hydrophobic surface: 206.129  Hydrophilic surface: 217.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00122338
ASINEX-ZINC00349950