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CHEMBLOCK-ZINC03103058

 MMsINC code: MMs00536436
Type: Neutral
Formula: C10H8F4O3S
SMILES:   S(C(F)(C(OC)=O)C(F)(F)F)c1ccc(O)cc1
InChI:   InChI=1/C10H8F4O3S/c1-17-8(16)9(11,10(12,13)14)18-7-4-2-6(15)3-5-7/h2-5,15H,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.229 g/mol  logS: -3.91514  SlogP: 3.7252  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.098778  Sterimol/B1: 2.11194  Sterimol/B2: 2.56858  Sterimol/B3: 3.75244
  Sterimol/B4: 6.97181  Sterimol/L: 11.7516 
 
 Surface and Volume Properties
  Accessible surface: 433.984  Positive charged surface: 201.722  Negative charged surface: 232.262  Volume: 209
  Hydrophobic surface: 223.076  Hydrophilic surface: 210.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.