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CHEMDIV-ZINC00224802

MMsINC code: MMs00844356

Type: Neutral
Formula: C16H16FNO3S
SMILES:   S(=O)(=O)(CCC(=O)Nc1ccc(F)cc1)c1ccc(cc1)C
InChI:   InChI=1/C16H16FNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=55.9167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.372 g/mol  logS: -4.17282  SlogP: 2.93662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470706  Sterimol/B1: 2.91902  Sterimol/B2: 3.43122  Sterimol/B3: 4.00989
  Sterimol/B4: 6.16369  Sterimol/L: 18.153 
 
 Surface and Volume Properties
  Accessible surface: 566.122  Positive charged surface: 293.221  Negative charged surface: 272.9  Volume: 286.25
  Hydrophobic surface: 466.541  Hydrophilic surface: 99.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.