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PUBCHEM-ZINC05407990

 MMsINC code: MMs03258440
Type: Neutral
Formula: C24H24N4
SMILES:   n1ccc(cc1)/C(=N/N1CCN(CC1)C1c2c(-c3c1cccc3)cccc2)/C
InChI:   InChI=1/C24H24N4/c1-18(19-10-12-25-13-11-19)26-28-16-14-27(15-17-28)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3/b26-18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.39 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.484 g/mol  logS: -4.67006  SlogP: 4.2887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14831  Sterimol/B1: 2.55568  Sterimol/B2: 3.63733  Sterimol/B3: 5.59991
  Sterimol/B4: 8.36849  Sterimol/L: 13.906 
 
 Surface and Volume Properties
  Accessible surface: 625.962  Positive charged surface: 419.368  Negative charged surface: 199.994  Volume: 375.5
  Hydrophobic surface: 594.338  Hydrophilic surface: 31.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03258441
PUBCHEM-ZINC05407990