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NCID-ZINC01694077

 MMsINC code: MMs02325418
Type: Neutral
Formula: C10H16N8+2
SMILES:   [NH2+]=C(N\N=C\c1ccc(cc1)\C=N\NC(=[NH2+])N)N
InChI:   InChI=1/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+

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Potential Energy
Epot(MMFF94)=-51.9932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.294 g/mol  logS: -2.40278  SlogP: -4.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.25127e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10105  Sterimol/B3: 2.43542
  Sterimol/B4: 6.72421  Sterimol/L: 17.6448 
 
 Surface and Volume Properties
  Accessible surface: 512.166  Positive charged surface: 384.813  Negative charged surface: 127.353  Volume: 241.25
  Hydrophobic surface: 158.421  Hydrophilic surface: 353.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 6
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02325419
NCID-ZINC01694077