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PUBCHEM-ZINC05679959

 MMsINC code: MMs03345425
Type: Neutral
Formula: C26H28N4
SMILES:   n1c(nc2c(cccc2)c1N(Cc1ccccc1)Cc1ccccc1)CCN(C)C
InChI:   InChI=1/C26H28N4/c1-29(2)18-17-25-27-24-16-10-9-15-23(24)26(28-25)30(19-21-11-5-3-6-12-21)20-22-13-7-4-8-14-22/h3-16H,17-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.538 g/mol  logS: -5.67363  SlogP: 5.47347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238971  Sterimol/B1: 3.21817  Sterimol/B2: 4.05287  Sterimol/B3: 5.20074
  Sterimol/B4: 9.37232  Sterimol/L: 16.3259 
 
 Surface and Volume Properties
  Accessible surface: 666.722  Positive charged surface: 449.634  Negative charged surface: 214.847  Volume: 414.75
  Hydrophobic surface: 631.636  Hydrophilic surface: 35.086
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03345426
PUBCHEM-ZINC05679959