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ASINEX-ZINC02064729

 MMsINC code: MMs00262544
Type: Neutral
Formula: C16H11FO3S
SMILES:   S(Oc1c2c(ccc1)cccc2)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H11FO3S/c17-13-8-10-14(11-9-13)21(18,19)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H

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Potential Energy
Epot(MMFF94)=80.3574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.325 g/mol  logS: -5.65507  SlogP: 3.7466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688367  Sterimol/B1: 2.71854  Sterimol/B2: 3.76201  Sterimol/B3: 4.70899
  Sterimol/B4: 4.86782  Sterimol/L: 14.1409 
 
 Surface and Volume Properties
  Accessible surface: 475.096  Positive charged surface: 208.836  Negative charged surface: 258.207  Volume: 259.375
  Hydrophobic surface: 411.792  Hydrophilic surface: 63.304
 
 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.