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NCID-ZINC05046413

 MMsINC code: MMs02431888
Type: Neutral
Formula: C10H16N6O2
SMILES:   O1CCCC1n1nc(N=NN(C)C)c(c1)C(=O)N
InChI:   InChI=1/C10H16N6O2/c1-15(2)14-12-10-7(9(11)17)6-16(13-10)8-4-3-5-18-8/h6,8H,3-5H2,1-2H3,(H2,11,17)/b14-12+/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=47.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.278 g/mol  logS: -0.69587  SlogP: 0.9468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442839  Sterimol/B1: 2.94263  Sterimol/B2: 3.84067  Sterimol/B3: 4.81826
  Sterimol/B4: 5.90308  Sterimol/L: 14.1272 
 
 Surface and Volume Properties
  Accessible surface: 498.476  Positive charged surface: 387.939  Negative charged surface: 110.537  Volume: 237.375
  Hydrophobic surface: 346.851  Hydrophilic surface: 151.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.