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PUBCHEM-ZINC05202954

 MMsINC code: MMs03223695
Type: Neutral
Formula: C14H14ClNO2S
SMILES:   Clc1c2c(sc1C(=O)N1CCOCC1)cc(cc2)C
InChI:   InChI=1/C14H14ClNO2S/c1-9-2-3-10-11(8-9)19-13(12(10)15)14(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3

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Potential Energy
Epot(MMFF94)=74.0162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.79 g/mol  logS: -4.57806  SlogP: 3.33552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581548  Sterimol/B1: 3.06989  Sterimol/B2: 3.40735  Sterimol/B3: 3.43363
  Sterimol/B4: 6.08287  Sterimol/L: 15.0906 
 
 Surface and Volume Properties
  Accessible surface: 492.527  Positive charged surface: 290.128  Negative charged surface: 196.934  Volume: 261.125
  Hydrophobic surface: 450.941  Hydrophilic surface: 41.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.