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PUBCHEM-ZINC06505516

 MMsINC code: MMs03774627
Type: Neutral
Formula: C14H7F2NO3S
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2F)\C(=O)NC1=O
InChI:   InChI=1/C14H7F2NO3S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.1045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.276 g/mol  logS: -5.82737  SlogP: 3.5487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402543  Sterimol/B1: 2.18913  Sterimol/B2: 2.43902  Sterimol/B3: 3.57739
  Sterimol/B4: 7.05381  Sterimol/L: 14.3972 
 
 Surface and Volume Properties
  Accessible surface: 480.161  Positive charged surface: 215.39  Negative charged surface: 264.771  Volume: 241.875
  Hydrophobic surface: 317.382  Hydrophilic surface: 162.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.