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CHEMBLOCK-ZINC02694669

 MMsINC code: MMs00533330
Type: Neutral
Formula: C18H11FO4S
SMILES:   S(Oc1cc2c3c(oc2cc1)cccc3)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C18H11FO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H

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Potential Energy
Epot(MMFF94)=79.109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.346 g/mol  logS: -7.0692  SlogP: 4.4928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477867  Sterimol/B1: 2.65124  Sterimol/B2: 3.98665  Sterimol/B3: 4.22236
  Sterimol/B4: 4.8016  Sterimol/L: 16.2792 
 
 Surface and Volume Properties
  Accessible surface: 528.771  Positive charged surface: 233.739  Negative charged surface: 284.574  Volume: 285.125
  Hydrophobic surface: 445.113  Hydrophilic surface: 83.658
 
 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.