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PUBCHEM-ZINC02000644

 MMsINC code: MMs02842939
Type: Neutral
Formula: C6H16N2
SMILES:   N(CC(N)CC)(C)C
InChI:   InChI=1/C6H16N2/c1-4-6(7)5-8(2)3/h6H,4-5,7H2,1-3H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=18.9207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.29123  SlogP: 0.2853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162634  Sterimol/B1: 3.1208  Sterimol/B2: 3.22376  Sterimol/B3: 3.58464
  Sterimol/B4: 3.68242  Sterimol/L: 10.7611 
 
 Surface and Volume Properties
  Accessible surface: 331.502  Positive charged surface: 294.236  Negative charged surface: 37.2658  Volume: 143.875
  Hydrophobic surface: 263.906  Hydrophilic surface: 67.596
 
 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


MMs02842940
PUBCHEM-ZINC02000644