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PUBCHEM-ZINC04975912

 MMsINC code: MMs03186952
Type: Neutral
Formula: C22H48N2
SMILES:   N(CCCCCCN(CCCC)CCCC)(CCCC)CCCC
InChI:   InChI=1/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3

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Potential Energy
Epot(MMFF94)=20.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.64 g/mol  logS: -4.3702  SlogP: 6.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284606  Sterimol/B1: 2.47997  Sterimol/B2: 3.40908  Sterimol/B3: 3.67643
  Sterimol/B4: 10.5221  Sterimol/L: 19.0454 
 
 Surface and Volume Properties
  Accessible surface: 808.678  Positive charged surface: 667.89  Negative charged surface: 140.787  Volume: 427.875
  Hydrophobic surface: 714.435  Hydrophilic surface: 94.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03186953
PUBCHEM-ZINC04975912