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ENAMINE-ZINC06610838

 MMsINC code: MMs01686533
Type: Neutral
Formula: C14H11ClFNO4S
SMILES:   Clc1cc(NS(=O)(=O)c2ccccc2C(OC)=O)c(F)cc1
InChI:   InChI=1/C14H11ClFNO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-8-9(15)6-7-11(12)16/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=60.5646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.762 g/mol  logS: -4.45772  SlogP: 3.0665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263973  Sterimol/B1: 2.48939  Sterimol/B2: 3.41898  Sterimol/B3: 4.91731
  Sterimol/B4: 7.68617  Sterimol/L: 13.4293 
 
 Surface and Volume Properties
  Accessible surface: 500.372  Positive charged surface: 247.005  Negative charged surface: 253.367  Volume: 273.375
  Hydrophobic surface: 417.034  Hydrophilic surface: 83.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.