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CHEMDIV-ZINC04484172

 MMsINC code: MMs00936435
Type: Neutral
Formula: C16H10F2O5S
SMILES:   S(=O)(=O)(C1=Cc2c(OC1=O)c(F)cc(F)c2)c1ccc(OC)cc1
InChI:   InChI=1/C16H10F2O5S/c1-22-11-2-4-12(5-3-11)24(20,21)14-7-9-6-10(17)8-13(18)15(9)23-16(14)19/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.313 g/mol  logS: -5.41192  SlogP: 2.7072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123004  Sterimol/B1: 2.21173  Sterimol/B2: 3.57825  Sterimol/B3: 5.51227
  Sterimol/B4: 6.51535  Sterimol/L: 15.55 
 
 Surface and Volume Properties
  Accessible surface: 525.889  Positive charged surface: 258.847  Negative charged surface: 267.042  Volume: 276.375
  Hydrophobic surface: 415.644  Hydrophilic surface: 110.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.