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PUBCHEM-ZINC02863170

 MMsINC code: MMs02945409
Type: Neutral
Formula: C23H18ClF3N2O3
SMILES:   Clc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)ccc1C
InChI:   InChI=1/C23H18ClF3N2O3/c1-14-10-11-15(12-18(14)24)28-22(31)16-6-2-5-9-20(16)32-13-21(30)29-19-8-4-3-7-17(19)23(25,26)27/h2-12H,13H2,1H3,(H,28,31)(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.855 g/mol  logS: -7.35299  SlogP: 6.24852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230335  Sterimol/B1: 2.0554  Sterimol/B2: 3.28432  Sterimol/B3: 3.44065
  Sterimol/B4: 11.4051  Sterimol/L: 17.9516 
 
 Surface and Volume Properties
  Accessible surface: 710.51  Positive charged surface: 332.323  Negative charged surface: 378.187  Volume: 392.875
  Hydrophobic surface: 558.331  Hydrophilic surface: 152.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.