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ENAMINE-ZINC03608901

 MMsINC code: MMs01523407
Type: Neutral
Formula: C23H20ClFN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC=C)c2ccccc2OC)cc1C(=O)Nc1ccccc1F
InChI:   InChI=1/C23H20ClFN2O4S/c1-3-14-27(21-10-6-7-11-22(21)31-2)32(29,30)16-12-13-18(24)17(15-16)23(28)26-20-9-5-4-8-19(20)25/h3-13,15H,1,14H2,2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.94 g/mol  logS: -6.66817  SlogP: 5.1213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653324  Sterimol/B1: 2.25781  Sterimol/B2: 2.86444  Sterimol/B3: 5.64524
  Sterimol/B4: 9.59999  Sterimol/L: 17.724 
 
 Surface and Volume Properties
  Accessible surface: 688.16  Positive charged surface: 370.281  Negative charged surface: 317.878  Volume: 415.375
  Hydrophobic surface: 571.462  Hydrophilic surface: 116.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.