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PUBCHEM-ZINC05113491

 MMsINC code: MMs03201743
Type: Neutral
Formula: C4H14N4
SMILES:   N(CC(N)N)CCN
InChI:   InChI=1/C4H14N4/c5-1-2-8-3-4(6)7/h4,8H,1-3,5-7H2

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Potential Energy
Epot(MMFF94)=-2.29287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.184 g/mol  logS: 1.68771  SlogP: -2.2218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124247  Sterimol/B1: 2.62346  Sterimol/B2: 3.07468  Sterimol/B3: 3.37741
  Sterimol/B4: 3.79455  Sterimol/L: 10.5514 
 
 Surface and Volume Properties
  Accessible surface: 327.985  Positive charged surface: 284.839  Negative charged surface: 43.1456  Volume: 130
  Hydrophobic surface: 138.387  Hydrophilic surface: 189.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03201744
PUBCHEM-ZINC05113491