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PUBCHEM-ZINC05761114

 MMsINC code: MMs03374348
Type: Neutral
Formula: C10H24N4
SMILES:   N(C(C(C)C)C)(CCCCN)C(N)=N
InChI:   InChI=1/C10H24N4/c1-8(2)9(3)14(10(12)13)7-5-4-6-11/h8-9H,4-7,11H2,1-3H3,(H3,12,13)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=-11.3652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: -0.95795  SlogP: 0.96527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159452  Sterimol/B1: 2.36654  Sterimol/B2: 3.72918  Sterimol/B3: 3.80782
  Sterimol/B4: 6.67306  Sterimol/L: 13.7435 
 
 Surface and Volume Properties
  Accessible surface: 448.517  Positive charged surface: 355.77  Negative charged surface: 92.7464  Volume: 229.25
  Hydrophobic surface: 237.105  Hydrophilic surface: 211.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs03374349
PUBCHEM-ZINC05761114