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PUBCHEM-ZINC05996310

 MMsINC code: MMs03480281
Type: Neutral
Formula: C8H18N2
SMILES:   N(CCCCNC)CC=C
InChI:   InChI=1/C8H18N2/c1-3-6-10-8-5-4-7-9-2/h3,9-10H,1,4-8H2,2H3

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Potential Energy
Epot(MMFF94)=-1.21673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.246 g/mol  logS: -0.02419  SlogP: 0.7616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389266  Sterimol/B1: 2.65218  Sterimol/B2: 2.73691  Sterimol/B3: 3.06838
  Sterimol/B4: 3.11017  Sterimol/L: 15.4317 
 
 Surface and Volume Properties
  Accessible surface: 409.694  Positive charged surface: 334.263  Negative charged surface: 75.4308  Volume: 175.75
  Hydrophobic surface: 301.408  Hydrophilic surface: 108.286
 
 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


MMs03480282
PUBCHEM-ZINC05996310