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PUBCHEM-ZINC05510423

 MMsINC code: MMs03291823
Type: Neutral
Formula: C24H43NO
SMILES:   O=C(NC1CCCCC1)CCCCCCC\C=C\C\C=C\CCCCC
InChI:   InChI=1/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h6-7,9-10,23H,2-5,8,11-22H2,1H3,(H,25,26)/b7-6+,10-9+

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Potential Energy
Epot(MMFF94)=14.1773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.614 g/mol  logS: -8.41669  SlogP: 7.2488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203723  Sterimol/B1: 2.12583  Sterimol/B2: 2.94036  Sterimol/B3: 4.14578
  Sterimol/B4: 9.38471  Sterimol/L: 26.3651 
 
 Surface and Volume Properties
  Accessible surface: 822.701  Positive charged surface: 663.848  Negative charged surface: 158.853  Volume: 427.875
  Hydrophobic surface: 719.698  Hydrophilic surface: 103.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.