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PUBCHEM-ZINC05848541

 MMsINC code: MMs03415281
Type: Neutral
Formula: C24H20N2O3
SMILES:   Oc1ccc(O)cc1CCN1C(=Nc2c(cccc2)C1=O)\C=C\c1ccccc1
InChI:   InChI=1/C24H20N2O3/c27-19-11-12-22(28)18(16-19)14-15-26-23(13-10-17-6-2-1-3-7-17)25-21-9-5-4-8-20(21)24(26)29/h1-13,16,27-28H,14-15H2/b13-10+

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Potential Energy
Epot(MMFF94)=83.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.435 g/mol  logS: -5.46465  SlogP: 4.53967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224152  Sterimol/B1: 2.634  Sterimol/B2: 2.93939  Sterimol/B3: 3.03286
  Sterimol/B4: 12.4647  Sterimol/L: 15.8634 
 
 Surface and Volume Properties
  Accessible surface: 640.721  Positive charged surface: 360.653  Negative charged surface: 280.068  Volume: 369.625
  Hydrophobic surface: 532.914  Hydrophilic surface: 107.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.