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PUBCHEM-ZINC00312947

 MMsINC code: MMs02652628
Type: Neutral
Formula: C14H19ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NCC2OCCC2)C)cc1
InChI:   InChI=1/C14H19ClN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=50.3471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.835 g/mol  logS: -2.90032  SlogP: 1.2557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049291  Sterimol/B1: 2.28143  Sterimol/B2: 2.75006  Sterimol/B3: 4.81831
  Sterimol/B4: 7.15847  Sterimol/L: 18.3211 
 
 Surface and Volume Properties
  Accessible surface: 584.575  Positive charged surface: 360.688  Negative charged surface: 223.888  Volume: 302.5
  Hydrophobic surface: 479.948  Hydrophilic surface: 104.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.