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PUBCHEM-ZINC05962929

 MMsINC code: MMs03463230
Type: Neutral
Formula: C15H36N4
SMILES:   N(C(C)C)(CCNC(C)C)CCNCCNC(C)C
InChI:   InChI=1/C15H36N4/c1-13(2)17-8-7-16-9-11-19(15(5)6)12-10-18-14(3)4/h13-18H,7-12H2,1-6H3

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Potential Energy
Epot(MMFF94)=38.8622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.481 g/mol  logS: -0.75251  SlogP: 1.2824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480199  Sterimol/B1: 3.01139  Sterimol/B2: 3.57455  Sterimol/B3: 3.63099
  Sterimol/B4: 8.17973  Sterimol/L: 18.6992 
 
 Surface and Volume Properties
  Accessible surface: 637.644  Positive charged surface: 504.493  Negative charged surface: 133.151  Volume: 328.25
  Hydrophobic surface: 468.589  Hydrophilic surface: 169.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03463231
PUBCHEM-ZINC05962929