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ENAMINE-ZINC02240227

 MMsINC code: MMs01248845
Type: Neutral
Formula: C11H7F2NO2S2
SMILES:   S1\C(=C/c2ccc(OC(F)F)cc2)\C(=O)NC1=S
InChI:   InChI=1/C11H7F2NO2S2/c12-10(13)16-7-3-1-6(2-4-7)5-8-9(15)14-11(17)18-8/h1-5,10H,(H,14,15,17)/b8-5-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.3017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.31 g/mol  logS: -4.47819  SlogP: 3.1967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195716  Sterimol/B1: 2.50203  Sterimol/B2: 2.76995  Sterimol/B3: 3.07522
  Sterimol/B4: 7.63395  Sterimol/L: 13.7899 
 
 Surface and Volume Properties
  Accessible surface: 447.803  Positive charged surface: 172.169  Negative charged surface: 275.634  Volume: 222.5
  Hydrophobic surface: 175.239  Hydrophilic surface: 272.564
 
 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.