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NCID-ZINC01669083

 MMsINC code: MMs02305236
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-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9764 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: 0.0495588  Sterimol/B1: 3.20638  Sterimol/B2: 3.22436  Sterimol/B3: 4.47713
  Sterimol/B4: 6.98038  Sterimol/L: 13.5998 
 
 Surface and Volume Properties
  Accessible surface: 507.026  Positive charged surface: 392.677  Negative charged surface: 114.349  Volume: 237.5
  Hydrophobic surface: 353.722  Hydrophilic surface: 153.304
 
 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.