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NCID-ZINC04771431

 MMsINC code: MMs02402621
Type: Neutral
Formula: C7H11N6O-
SMILES:   O=C(N)c1nc[nH]c1N1[N-]N(CC1)C
InChI:   InChI=1/C7H11N6O/c1-12-2-3-13(11-12)7-5(6(8)14)9-4-10-7/h4H,2-3H2,1H3,(H2,8,14)(H,9,10)/q-1

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Potential Energy
Epot(MMFF94)=122.558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.206 g/mol  logS: -0.3219  SlogP: -0.5359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0801507  Sterimol/B1: 2.4132  Sterimol/B2: 2.89358  Sterimol/B3: 3.68546
  Sterimol/B4: 5.74774  Sterimol/L: 10.7863 
 
 Surface and Volume Properties
  Accessible surface: 385.712  Positive charged surface: 315.202  Negative charged surface: 70.51  Volume: 176.75
  Hydrophobic surface: 234.038  Hydrophilic surface: 151.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 1  Basic groups: 0
  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.