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PUBCHEM-ZINC06020724

 MMsINC code: MMs03495866
Type: Neutral
Formula: C6H16N2
SMILES:   N(CC(CN)C)(C)C
InChI:   InChI=1/C6H16N2/c1-6(4-7)5-8(2)3/h6H,4-5,7H2,1-3H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=15.2249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.41667  SlogP: 0.1428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211919  Sterimol/B1: 2.12567  Sterimol/B2: 2.67032  Sterimol/B3: 3.62718
  Sterimol/B4: 4.60569  Sterimol/L: 10.4559 
 
 Surface and Volume Properties
  Accessible surface: 326.42  Positive charged surface: 292.793  Negative charged surface: 33.6269  Volume: 142.25
  Hydrophobic surface: 248.448  Hydrophilic surface: 77.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03495867
PUBCHEM-ZINC06020724