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APOLLO-ZINC02565358

 MMsINC code: MMs00054130
Type: Neutral
Formula: C11H9F7O3S
SMILES:   S(OCC(F)(F)C(F)(F)C(F)(F)F)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C11H9F7O3S/c1-7-2-4-8(5-3-7)22(19,20)21-6-9(12,13)10(14,15)11(16,17)18/h2-5H,6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.242 g/mol  logS: -4.74372  SlogP: 4.79292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149623  Sterimol/B1: 3.01587  Sterimol/B2: 3.29327  Sterimol/B3: 4.28534
  Sterimol/B4: 6.44272  Sterimol/L: 13.5393 
 
 Surface and Volume Properties
  Accessible surface: 477.186  Positive charged surface: 148.716  Negative charged surface: 328.47  Volume: 236.375
  Hydrophobic surface: 220.696  Hydrophilic surface: 256.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.