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PUBCHEM-ZINC06863359

 MMsINC code: MMs03881607
Type: Neutral
Formula: C13H17ClN2O5S
SMILES:   Clc1ccc(S(=O)(=O)NC(C(=O)N2CCOCC2)CO)cc1
InChI:   InChI=1/C13H17ClN2O5S/c14-10-1-3-11(4-2-10)22(19,20)15-12(9-17)13(18)16-5-7-21-8-6-16/h1-4,12,15,17H,5-9H2/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=60.3947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.807 g/mol  logS: -2.11267  SlogP: -0.162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119749  Sterimol/B1: 3.99236  Sterimol/B2: 4.0083  Sterimol/B3: 4.63165
  Sterimol/B4: 5.59229  Sterimol/L: 15.1343 
 
 Surface and Volume Properties
  Accessible surface: 532.924  Positive charged surface: 302.972  Negative charged surface: 229.952  Volume: 287.25
  Hydrophobic surface: 369.821  Hydrophilic surface: 163.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.