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PUBCHEM-ZINC06883931

 MMsINC code: MMs03888161
Type: Neutral
Formula: C16H23ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CC(CCC2)C(=O)NC(C)C)ccc1OC
InChI:   InChI=1/C16H23ClN2O4S/c1-11(2)18-16(20)12-5-4-8-19(10-12)24(21,22)13-6-7-15(23-3)14(17)9-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=37.4526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.889 g/mol  logS: -3.21896  SlogP: 2.2739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11692  Sterimol/B1: 3.04735  Sterimol/B2: 3.89704  Sterimol/B3: 5.07225
  Sterimol/B4: 8.15614  Sterimol/L: 15.3852 
 
 Surface and Volume Properties
  Accessible surface: 601.366  Positive charged surface: 376.01  Negative charged surface: 225.356  Volume: 335
  Hydrophobic surface: 465.896  Hydrophilic surface: 135.47
 
 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.