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CHEMBRIDGE-ZINC05013945

 MMsINC code: MMs00826659
Type: Neutral
Formula: C11H14ClNO3S
SMILES:   Clc1cc(NC(=O)CSCCO)c(OC)cc1
InChI:   InChI=1/C11H14ClNO3S/c1-16-10-3-2-8(12)6-9(10)13-11(15)7-17-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=73.5271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.756 g/mol  logS: -3.16098  SlogP: 2.0126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0164474  Sterimol/B1: 2.56601  Sterimol/B2: 2.68297  Sterimol/B3: 2.99529
  Sterimol/B4: 8.55049  Sterimol/L: 15.8702 
 
 Surface and Volume Properties
  Accessible surface: 511.022  Positive charged surface: 328.346  Negative charged surface: 182.675  Volume: 240.25
  Hydrophobic surface: 382.11  Hydrophilic surface: 128.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.