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NCID-ZINC00399484

 MMsINC code: MMs02216069
Type: Neutral
Formula: C7H10N6
SMILES:   [nH]1c2nc(nc(N(C)C)c2nc1)N
InChI:   InChI=1/C7H10N6/c1-13(2)6-4-5(10-3-9-4)11-7(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=49.6936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.199 g/mol  logS: -2.03323  SlogP: 0.0011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599583  Sterimol/B1: 2.28799  Sterimol/B2: 3.48186  Sterimol/B3: 4.59527
  Sterimol/B4: 5.1441  Sterimol/L: 10.4219 
 
 Surface and Volume Properties
  Accessible surface: 363.601  Positive charged surface: 324.028  Negative charged surface: 39.5723  Volume: 162.875
  Hydrophobic surface: 211.02  Hydrophilic surface: 152.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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.