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CHEMDIV-ZINC06809693

 MMsINC code: MMs01037343
Type: Neutral
Formula: C20H10F2O4S
SMILES:   S1c2c(OC1=O)c(cc(OC(=O)c1ccc(F)cc1)c2)-c1ccc(F)cc1
InChI:   InChI=1/C20H10F2O4S/c21-13-5-1-11(2-6-13)16-9-15(10-17-18(16)26-20(24)27-17)25-19(23)12-3-7-14(22)8-4-12/h1-10H

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Potential Energy
Epot(MMFF94)=104.139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.358 g/mol  logS: -7.90367  SlogP: 5.4555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619735  Sterimol/B1: 2.52696  Sterimol/B2: 3.20769  Sterimol/B3: 4.40845
  Sterimol/B4: 8.07856  Sterimol/L: 17.1595 
 
 Surface and Volume Properties
  Accessible surface: 604.201  Positive charged surface: 257.542  Negative charged surface: 341.453  Volume: 316.875
  Hydrophobic surface: 457.821  Hydrophilic surface: 146.38
 
 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.