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PUBCHEM-ZINC05418351

 MMsINC code: MMs03262948
Type: Neutral
Formula: C24H52N2
SMILES:   N(C(CCCCCC)CN(CCCC)CCCC)(CCCC)CCCC
InChI:   InChI=1/C24H52N2/c1-6-11-16-17-18-24(26(21-14-9-4)22-15-10-5)23-25(19-12-7-2)20-13-8-3/h24H,6-23H2,1-5H3/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=82.3131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.694 g/mol  logS: -6.15298  SlogP: 7.1298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.385059  Sterimol/B1: 2.19236  Sterimol/B2: 4.47899  Sterimol/B3: 9.06326
  Sterimol/B4: 9.75991  Sterimol/L: 16.7138 
 
 Surface and Volume Properties
  Accessible surface: 783.239  Positive charged surface: 625.264  Negative charged surface: 157.975  Volume: 456.375
  Hydrophobic surface: 669.894  Hydrophilic surface: 113.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03262949
PUBCHEM-ZINC05418351