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ENAMINE-ZINC03167245

 MMsINC code: MMs01293030
Type: Neutral
Formula: C24H30N4
SMILES:   N(/N1CCN(CC1)c1ccc(cc1)C)=C\C=C/1\N(c2c(cccc2)C\1(C)C)C
InChI:   InChI=1/C24H30N4/c1-19-9-11-20(12-10-19)27-15-17-28(18-16-27)25-14-13-23-24(2,3)21-7-5-6-8-22(21)26(23)4/h5-14H,15-18H2,1-4H3/b23-13+,25-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=201.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.532 g/mol  logS: -4.71577  SlogP: 4.41432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465049  Sterimol/B1: 2.91908  Sterimol/B2: 3.01442  Sterimol/B3: 5.03898
  Sterimol/B4: 6.97102  Sterimol/L: 20.4542 
 
 Surface and Volume Properties
  Accessible surface: 678.839  Positive charged surface: 470.043  Negative charged surface: 208.796  Volume: 397.625
  Hydrophobic surface: 616.558  Hydrophilic surface: 62.281
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.