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PUBCHEM-ZINC00657718

 MMsINC code: MMs02721936
Type: Neutral
Formula: C24H19FN2O5
SMILES:   Fc1ccc(cc1)\C=C(/NC(=O)c1ccccc1OC)\C(=O)Nc1cc(ccc1)C(O)=O
InChI:   InChI=1/C24H19FN2O5/c1-32-21-8-3-2-7-19(21)22(28)27-20(13-15-9-11-17(25)12-10-15)23(29)26-18-6-4-5-16(14-18)24(30)31/h2-14H,1H3,(H,26,29)(H,27,28)(H,30,31)/b20-13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.423 g/mol  logS: -6.18147  SlogP: 3.9421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526658  Sterimol/B1: 3.02714  Sterimol/B2: 3.72395  Sterimol/B3: 3.72884
  Sterimol/B4: 9.05729  Sterimol/L: 16.8709 
 
 Surface and Volume Properties
  Accessible surface: 690.648  Positive charged surface: 405.564  Negative charged surface: 285.084  Volume: 389.25
  Hydrophobic surface: 543.719  Hydrophilic surface: 146.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02721937
PUBCHEM-ZINC00657718