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ENAMINE-ZINC03182508

 MMsINC code: MMs01298142
Type: Neutral
Formula: C18H13FO4S2
SMILES:   s1cc(-c2ccc(F)cc2)c(C(OCC)=O)c1OC(=O)c1sccc1
InChI:   InChI=1/C18H13FO4S2/c1-2-22-17(21)15-13(11-5-7-12(19)8-6-11)10-25-18(15)23-16(20)14-4-3-9-24-14/h3-10H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.1701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.428 g/mol  logS: -6.70092  SlogP: 5.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589812  Sterimol/B1: 2.17584  Sterimol/B2: 2.50988  Sterimol/B3: 4.862
  Sterimol/B4: 9.12101  Sterimol/L: 17.6253 
 
 Surface and Volume Properties
  Accessible surface: 606.589  Positive charged surface: 282.975  Negative charged surface: 323.614  Volume: 319.5
  Hydrophobic surface: 525.343  Hydrophilic surface: 81.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.