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PUBCHEM-ZINC05637214

 MMsINC code: MMs03331550
Type: Neutral
Formula: C24H16N4O2
SMILES:   O=C1N=C2C(C=CC=C2)=C1NN1C(=N\C(=C/c2ccccc2)\C1=O)c1ccccc1
InChI:   InChI=1/C24H16N4O2/c29-23-21(18-13-7-8-14-19(18)26-23)27-28-22(17-11-5-2-6-12-17)25-20(24(28)30)15-16-9-3-1-4-10-16/h1-15H,(H,26,27,29)/b20-15-

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Potential Energy
Epot(MMFF94)=179.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.418 g/mol  logS: -6.79621  SlogP: 3.1824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134842  Sterimol/B1: 3.58569  Sterimol/B2: 4.83515  Sterimol/B3: 5.52246
  Sterimol/B4: 7.1027  Sterimol/L: 15.3162 
 
 Surface and Volume Properties
  Accessible surface: 629.617  Positive charged surface: 305.832  Negative charged surface: 323.786  Volume: 365.75
  Hydrophobic surface: 493.169  Hydrophilic surface: 136.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.