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ENAMINE-ZINC03248506

 MMsINC code: MMs01329257
Type: Neutral
Formula: C23H18FN3O4S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1
InChI:   InChI=1/C23H18FN3O4S2/c24-17-7-5-16(6-8-17)15-31-21-4-2-1-3-20(21)22(28)26-18-9-11-19(12-10-18)33(29,30)27-23-25-13-14-32-23/h1-14H,15H2,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.544 g/mol  logS: -6.60134  SlogP: 5.1807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12412  Sterimol/B1: 2.54661  Sterimol/B2: 4.31007  Sterimol/B3: 5.74822
  Sterimol/B4: 11.6572  Sterimol/L: 15.6728 
 
 Surface and Volume Properties
  Accessible surface: 734.046  Positive charged surface: 382.238  Negative charged surface: 351.808  Volume: 408.875
  Hydrophobic surface: 586.401  Hydrophilic surface: 147.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.