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PUBCHEM-ZINC05853013

 MMsINC code: MMs03417936
Type: Neutral
Formula: C14H30N4
SMILES:   N(CCCNCCCNCC)CCCNCC#C
InChI:   InChI=1/C14H30N4/c1-3-8-16-10-6-12-18-14-7-13-17-11-5-9-15-4-2/h1,15-18H,4-14H2,2H3

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Potential Energy
Epot(MMFF94)=-14.9057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.422 g/mol  logS: -0.50947  SlogP: 0.168208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109891  Sterimol/B1: 2.46249  Sterimol/B2: 2.65006  Sterimol/B3: 2.68167
  Sterimol/B4: 3.44395  Sterimol/L: 25.1777 
 
 Surface and Volume Properties
  Accessible surface: 646.931  Positive charged surface: 511.446  Negative charged surface: 135.484  Volume: 303.75
  Hydrophobic surface: 520.64  Hydrophilic surface: 126.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03417937
PUBCHEM-ZINC05853013