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PUBCHEM-ZINC05354431

 MMsINC code: MMs03246513
Type: Neutral
Formula: C6H15N3O
SMILES:   O=C(N)C(NN)C(C)(C)C
InChI:   InChI=1/C6H15N3O/c1-6(2,3)4(9-8)5(7)10/h4,9H,8H2,1-3H3,(H2,7,10)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=99.9428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.206 g/mol  logS: -0.47291  SlogP: -0.6503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.446769  Sterimol/B1: 2.1493  Sterimol/B2: 3.5066  Sterimol/B3: 4.72175
  Sterimol/B4: 5.31029  Sterimol/L: 8.77041 
 
 Surface and Volume Properties
  Accessible surface: 321.567  Positive charged surface: 236.609  Negative charged surface: 84.9576  Volume: 148.875
  Hydrophobic surface: 122.94  Hydrophilic surface: 198.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.