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ENAMINE-ZINC01279326

 MMsINC code: MMs01239504
Type: Neutral
Formula: C7H10N5+
SMILES:   [n+]12nn(nc1nc(cc2C)C)C
InChI:   InChI=1/C7H10N5/c1-5-4-6(2)12-7(8-5)9-11(3)10-12/h4H,1-3H3/q+1

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Potential Energy
Epot(MMFF94)=56.3603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.192 g/mol  logS: -0.81739  SlogP: -0.07516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318733  Sterimol/B1: 2.44564  Sterimol/B2: 2.51199  Sterimol/B3: 2.51384
  Sterimol/B4: 6.02818  Sterimol/L: 11.3399 
 
 Surface and Volume Properties
  Accessible surface: 362.786  Positive charged surface: 266.39  Negative charged surface: 96.396  Volume: 155.5
  Hydrophobic surface: 276.774  Hydrophilic surface: 86.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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: no related molecules available.