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PUBCHEM-ZINC05158788

 MMsINC code: MMs03214871
Type: Neutral
Formula: C10H22N4
SMILES:   N(CCCCN)(CC=C(C)C)C(N)=N
InChI:   InChI=1/C10H22N4/c1-9(2)5-8-14(10(12)13)7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13)

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Potential Energy
Epot(MMFF94)=-18.3322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.314 g/mol  logS: -1.05702  SlogP: 0.88697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919747  Sterimol/B1: 2.27084  Sterimol/B2: 3.47538  Sterimol/B3: 4.84934
  Sterimol/B4: 5.29849  Sterimol/L: 14.7402 
 
 Surface and Volume Properties
  Accessible surface: 465.788  Positive charged surface: 370.175  Negative charged surface: 95.6131  Volume: 226.125
  Hydrophobic surface: 284.208  Hydrophilic surface: 181.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs03214872
PUBCHEM-ZINC05158788