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PUBCHEM-ZINC05821337

 MMsINC code: MMs03400397
Type: Neutral
Formula: C5H14N2
SMILES:   N(NC)CCCC
InChI:   InChI=1/C5H14N2/c1-3-4-5-7-6-2/h6-7H,3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.2857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.181 g/mol  logS: 0.0826  SlogP: 0.5105  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0559787  Sterimol/B1: 2.14424  Sterimol/B2: 2.39589  Sterimol/B3: 2.50892
  Sterimol/B4: 3.06974  Sterimol/L: 12.1029 
 
 Surface and Volume Properties
  Accessible surface: 325.548  Positive charged surface: 279.99  Negative charged surface: 45.5582  Volume: 128.375
  Hydrophobic surface: 256.876  Hydrophilic surface: 68.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.