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PUBCHEM-ZINC05950871

 MMsINC code: MMs03457387
Type: Neutral
Formula: C7H16N2-2
SMILES:   [N-](CC(C[N-]C)(C)C)C
InChI:   InChI=1/C7H16N2/c1-7(2,5-8-3)6-9-4/h5-6H2,1-4H3/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.7264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.219 g/mol  logS: 0.22149  SlogP: 2.0196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168935  Sterimol/B1: 2.11567  Sterimol/B2: 2.37458  Sterimol/B3: 3.88048
  Sterimol/B4: 4.87465  Sterimol/L: 12.057 
 
 Surface and Volume Properties
  Accessible surface: 355.541  Positive charged surface: 243.65  Negative charged surface: 111.891  Volume: 154.375
  Hydrophobic surface: 309.103  Hydrophilic surface: 46.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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.