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PUBCHEM-ZINC00992567

 MMsINC code: MMs02751545
Type: Neutral
Formula: C20H18F2O6S
SMILES:   S1(=O)(=O)CC(CC(Oc2ccccc2F)=O)C(C1)CC(Oc1ccccc1F)=O
InChI:   InChI=1/C20H18F2O6S/c21-15-5-1-3-7-17(15)27-19(23)9-13-11-29(25,26)12-14(13)10-20(24)28-18-8-4-2-6-16(18)22/h1-8,13-14H,9-12H2/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=101.406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.42 g/mol  logS: -4.63801  SlogP: 2.9168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467643  Sterimol/B1: 2.98523  Sterimol/B2: 3.83554  Sterimol/B3: 4.03804
  Sterimol/B4: 7.00764  Sterimol/L: 20.0737 
 
 Surface and Volume Properties
  Accessible surface: 662.872  Positive charged surface: 325.508  Negative charged surface: 337.365  Volume: 354.25
  Hydrophobic surface: 541.874  Hydrophilic surface: 120.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.