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PUBCHEM-ZINC05819797

 MMsINC code: MMs03398878
Type: Neutral
Formula: C24H37N
SMILES:   N(=C\C=C(/C=C\C=C(\C=C/C=1C(CCCC=1C)(C)C)/C)\C)/CCCC
InChI:   InChI=1/C24H37N/c1-7-8-18-25-19-16-21(3)12-9-11-20(2)14-15-23-22(4)13-10-17-24(23,5)6/h9,11-12,14-16,19H,7-8,10,13,17-18H2,1-6H3/b12-9-,15-14-,20-11+,21-16-,25-19+

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Potential Energy
Epot(MMFF94)=209.117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.567 g/mol  logS: -8.77311  SlogP: 7.3889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176449  Sterimol/B1: 4.54827  Sterimol/B2: 4.99265  Sterimol/B3: 5.78715
  Sterimol/B4: 5.89299  Sterimol/L: 16.8427 
 
 Surface and Volume Properties
  Accessible surface: 611.32  Positive charged surface: 444.789  Negative charged surface: 166.531  Volume: 389.25
  Hydrophobic surface: 555.317  Hydrophilic surface: 56.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.