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NCID-ZINC01706196

 MMsINC code: MMs02334576
Type: Neutral
Formula: C14H12F2O3S
SMILES:   S(=O)(c1cc(F)c(OC)cc1)c1cc(F)c(OC)cc1
InChI:   InChI=1/C14H12F2O3S/c1-18-13-5-3-9(7-11(13)15)20(17)10-4-6-14(19-2)12(16)8-10/h3-8H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.0183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.309 g/mol  logS: -4.18963  SlogP: 3.1487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133886  Sterimol/B1: 2.30307  Sterimol/B2: 3.42337  Sterimol/B3: 5.22299
  Sterimol/B4: 5.63064  Sterimol/L: 15.1056 
 
 Surface and Volume Properties
  Accessible surface: 501.757  Positive charged surface: 317.036  Negative charged surface: 184.72  Volume: 253.25
  Hydrophobic surface: 438.382  Hydrophilic surface: 63.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.