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CHEMDIV-ZINC06784595

 MMsINC code: MMs01022951
Type: Neutral
Formula: C16H12FNO5S
SMILES:   S(=O)(=O)(NC=1C(Oc2c(cccc2)C=1O)=O)c1cc(C)c(F)cc1
InChI:   InChI=1/C16H12FNO5S/c1-9-8-10(6-7-12(9)17)24(21,22)18-14-15(19)11-4-2-3-5-13(11)23-16(14)20/h2-8,18-19H,1H3

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Potential Energy
Epot(MMFF94)=119.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.338 g/mol  logS: -4.5984  SlogP: 2.25822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182539  Sterimol/B1: 2.07996  Sterimol/B2: 3.93445  Sterimol/B3: 5.23773
  Sterimol/B4: 6.99852  Sterimol/L: 14.0999 
 
 Surface and Volume Properties
  Accessible surface: 523.311  Positive charged surface: 268.506  Negative charged surface: 254.804  Volume: 282.375
  Hydrophobic surface: 382.902  Hydrophilic surface: 140.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.