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CHEMDIV-ZINC06794420

 MMsINC code: MMs01024768
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1ccccc1Cn1c2c(ccc(OC)c2)c(CNCc2oc(cc2)C)c1C(O)=O
InChI:   InChI=1/C24H23FN2O4/c1-15-7-8-18(31-15)12-26-13-20-19-10-9-17(30-2)11-22(19)27(23(20)24(28)29)14-16-5-3-4-6-21(16)25/h3-11,26H,12-14H2,1-2H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -5.37773  SlogP: 5.52592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064662  Sterimol/B1: 2.94429  Sterimol/B2: 4.6926  Sterimol/B3: 6.50902
  Sterimol/B4: 7.01105  Sterimol/L: 18.5508 
 
 Surface and Volume Properties
  Accessible surface: 701.139  Positive charged surface: 442.079  Negative charged surface: 254.77  Volume: 397.375
  Hydrophobic surface: 579.956  Hydrophilic surface: 121.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.