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PUBCHEM-ZINC05423798

 MMsINC code: MMs03265432
Type: Neutral
Formula: C10H18N6O
SMILES:   O=C(N)c1[nH]c(nc1N=NN(C)C)CC(C)C
InChI:   InChI=1/C10H18N6O/c1-6(2)5-7-12-8(9(11)17)10(13-7)14-15-16(3)4/h6H,5H2,1-4H3,(H2,11,17)(H,12,13)/b15-14+

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Potential Energy
Epot(MMFF94)=18.1629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.295 g/mol  logS: -1.77171  SlogP: 1.26737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065334  Sterimol/B1: 2.7098  Sterimol/B2: 3.14644  Sterimol/B3: 3.97348
  Sterimol/B4: 8.433  Sterimol/L: 13.6886 
 
 Surface and Volume Properties
  Accessible surface: 504.197  Positive charged surface: 396.369  Negative charged surface: 107.829  Volume: 237.875
  Hydrophobic surface: 322.766  Hydrophilic surface: 181.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.