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CHEMBLOCK-ZINC02479700

 MMsINC code: MMs00531925
Type: Neutral
Formula: C10H8F4O4S
SMILES:   S(C(F)(C(OC)=O)C(F)(F)F)c1ccc(O)cc1O
InChI:   InChI=1/C10H8F4O4S/c1-18-8(17)9(11,10(12,13)14)19-7-3-2-5(15)4-6(7)16/h2-4,15-16H,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.6481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.228 g/mol  logS: -3.55319  SlogP: 3.4308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129286  Sterimol/B1: 2.20546  Sterimol/B2: 2.6443  Sterimol/B3: 4.23969
  Sterimol/B4: 6.63633  Sterimol/L: 11.9082 
 
 Surface and Volume Properties
  Accessible surface: 447.279  Positive charged surface: 219.085  Negative charged surface: 228.194  Volume: 215
  Hydrophobic surface: 194.356  Hydrophilic surface: 252.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.