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ASINEX-ZINC00621396

 MMsINC code: MMs00141773
Type: Neutral
Formula: C14H19ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NC(C(=O)NCC2OCCC2)C)cc1
InChI:   InChI=1/C14H19ClN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,16,18)/t10-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=36.9859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.835 g/mol  logS: -3.15195  SlogP: 1.302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551969  Sterimol/B1: 2.38334  Sterimol/B2: 4.80331  Sterimol/B3: 4.80973
  Sterimol/B4: 5.38129  Sterimol/L: 17.2122 
 
 Surface and Volume Properties
  Accessible surface: 574.699  Positive charged surface: 324.784  Negative charged surface: 249.915  Volume: 298.625
  Hydrophobic surface: 429.806  Hydrophilic surface: 144.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.