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AURORAFEINCHEMIE-ZINC04016430

 MMsINC code: MMs00460694
Type: Neutral
Formula: C10H16N4
SMILES:   [nH]1nc(N2N=C(CC2(C)C)C)cc1C
InChI:   InChI=1/C10H16N4/c1-7-5-9(12-11-7)14-10(3,4)6-8(2)13-14/h5H,6H2,1-4H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=39.7712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.266 g/mol  logS: -1.36662  SlogP: 2.08272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999799  Sterimol/B1: 3.6258  Sterimol/B2: 3.6278  Sterimol/B3: 3.79601
  Sterimol/B4: 5.05371  Sterimol/L: 12.3737 
 
 Surface and Volume Properties
  Accessible surface: 424.242  Positive charged surface: 293.648  Negative charged surface: 130.594  Volume: 203.625
  Hydrophobic surface: 319.825  Hydrophilic surface: 104.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.