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CHEMDIV-ZINC03022887

 MMsINC code: MMs00903386
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1ccc(cc1)CNC(=O)c1ccc(cc1)CNC(=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H23FN2O4/c1-30-21-12-9-19(13-22(21)31-2)24(29)27-14-16-3-7-18(8-4-16)23(28)26-15-17-5-10-20(25)11-6-17/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.0651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -5.60868  SlogP: 4.2357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532541  Sterimol/B1: 2.21846  Sterimol/B2: 3.49004  Sterimol/B3: 5.34419
  Sterimol/B4: 8.72108  Sterimol/L: 21.415 
 
 Surface and Volume Properties
  Accessible surface: 750.696  Positive charged surface: 477.343  Negative charged surface: 273.353  Volume: 399
  Hydrophobic surface: 640.066  Hydrophilic surface: 110.63
 
 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.