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CHEMDIV-ZINC04765845

 MMsINC code: MMs00950990
Type: Neutral
Formula: C25H21ClFN3O5S
SMILES:   Clc1ccccc1-n1cc(nc1S(=O)(=O)CC(=O)Nc1cc(F)ccc1)-c1cc(OC)c(OC
)cc1
InChI:   InChI=1/C25H21ClFN3O5S/c1-34-22-11-10-16(12-23(22)35-2)20-14-30(21-9-4-3-8-19(21)26)25(29-20)36(32,33)15-24(31)28-18-7-5-6-17(27)13-18/h3-14H,15H2,1-2H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 529.976 g/mol  logS: -7.97104  SlogP: 4.7614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048978  Sterimol/B1: 3.08533  Sterimol/B2: 5.54868  Sterimol/B3: 5.75407
  Sterimol/B4: 8.55614  Sterimol/L: 21.7388 
 
 Surface and Volume Properties
  Accessible surface: 800.044  Positive charged surface: 465.755  Negative charged surface: 334.288  Volume: 450.375
  Hydrophobic surface: 690.234  Hydrophilic surface: 109.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.