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CHEMBLOCK-ZINC00533776

 MMsINC code: MMs00505254
Type: Neutral
Formula: C10H10N5+
SMILES:   [nH+]1c2c(n3c1N=C(N=C3C)N)cccc2
InChI:   InChI=1/C10H9N5/c1-6-12-9(11)14-10-13-7-4-2-3-5-8(7)15(6)10/h2-5H,1H3,(H2,11,13,14)/p+1

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Potential Energy
Epot(MMFF94)=-58.0708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.225 g/mol  logS: -3.37303  SlogP: 0.6817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00895125  Sterimol/B1: 2.05269  Sterimol/B2: 2.37993  Sterimol/B3: 2.38095
  Sterimol/B4: 6.80719  Sterimol/L: 12.4492 
 
 Surface and Volume Properties
  Accessible surface: 387.35  Positive charged surface: 259.852  Negative charged surface: 127.498  Volume: 188.375
  Hydrophobic surface: 214.472  Hydrophilic surface: 172.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00505255
CHEMBLOCK-ZINC00533776