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ENAMINE-ZINC04836082

 MMsINC code: MMs01555802
Type: Neutral
Formula: C19H16ClNO5S
SMILES:   Clc1cc(ccc1)COC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1
InChI:   InChI=1/C19H16ClNO5S/c20-16-4-1-3-14(11-16)13-26-19(22)15-6-8-18(9-7-15)27(23,24)21-12-17-5-2-10-25-17/h1-11,21H,12-13H2

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Potential Energy
Epot(MMFF94)=41.0477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.858 g/mol  logS: -5.62625  SlogP: 4.3013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686068  Sterimol/B1: 2.51217  Sterimol/B2: 3.48343  Sterimol/B3: 4.89671
  Sterimol/B4: 7.6583  Sterimol/L: 19.3869 
 
 Surface and Volume Properties
  Accessible surface: 664.378  Positive charged surface: 299.169  Negative charged surface: 365.209  Volume: 350.125
  Hydrophobic surface: 522.82  Hydrophilic surface: 141.558
 
 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.