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ENAMINE-ZINC02653360

 MMsINC code: MMs01276940
Type: Neutral
Formula: C23H18ClF3N2O6S
SMILES:   Clc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(OCC(=O)Nc1ccc(OC(F)(F)F)c
c1)=O
InChI:   InChI=1/C23H18ClF3N2O6S/c1-29(16-5-3-2-4-6-16)36(32,33)18-11-12-20(24)19(13-18)22(31)34-14-21(30)28-15-7-9-17(10-8-15)35-23(25,26)27/h2-13H,14H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 542.918 g/mol  logS: -7.42408  SlogP: 5.2791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029062  Sterimol/B1: 3.09043  Sterimol/B2: 3.31227  Sterimol/B3: 4.26941
  Sterimol/B4: 9.51336  Sterimol/L: 21.6027 
 
 Surface and Volume Properties
  Accessible surface: 760.087  Positive charged surface: 347.467  Negative charged surface: 412.62  Volume: 428.875
  Hydrophobic surface: 511.573  Hydrophilic surface: 248.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.