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PUBCHEM-ZINC05394671

 MMsINC code: MMs03257005
Type: Neutral
Formula: C26H26N4
SMILES:   n1nn(c2c1cccc2)C(CCCn1cc(c2c1cccc2)C)(C)c1ccccc1
InChI:   InChI=1/C26H26N4/c1-20-19-29(24-15-8-6-13-22(20)24)18-10-17-26(2,21-11-4-3-5-12-21)30-25-16-9-7-14-23(25)27-28-30/h3-9,11-16,19H,10,17-18H2,1-2H3/t26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.522 g/mol  logS: -5.68804  SlogP: 6.51622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105338  Sterimol/B1: 3.56233  Sterimol/B2: 3.86351  Sterimol/B3: 4.82058
  Sterimol/B4: 7.55617  Sterimol/L: 17.9128 
 
 Surface and Volume Properties
  Accessible surface: 686.432  Positive charged surface: 386.99  Negative charged surface: 294.134  Volume: 404.25
  Hydrophobic surface: 609.775  Hydrophilic surface: 76.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.