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ENAMINE-ZINC06941100

 MMsINC code: MMs01715037
Type: Neutral
Formula: C16H13ClFNO6S
SMILES:   Clc1cc(NS(=O)(=O)c2cc(ccc2C(OC)=O)C(OC)=O)c(F)cc1
InChI:   InChI=1/C16H13ClFNO6S/c1-24-15(20)9-3-5-11(16(21)25-2)14(7-9)26(22,23)19-13-8-10(17)4-6-12(13)18/h3-8,19H,1-2H3

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Potential Energy
Epot(MMFF94)=77.0654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.798 g/mol  logS: -4.83945  SlogP: 2.8531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179845  Sterimol/B1: 3.60143  Sterimol/B2: 5.06482  Sterimol/B3: 5.20959
  Sterimol/B4: 7.4518  Sterimol/L: 13.7855 
 
 Surface and Volume Properties
  Accessible surface: 577.918  Positive charged surface: 321.356  Negative charged surface: 256.562  Volume: 319.125
  Hydrophobic surface: 457.048  Hydrophilic surface: 120.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.