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CHEMBRIDGE-ZINC01056292

 MMsINC code: MMs00654908
Type: Neutral
Formula: C15H15ClFNO2S
SMILES:   Clc1c2c(sc1C(=O)N1CC(OC(C1)C)C)cccc2F
InChI:   InChI=1/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)12-10(17)4-3-5-11(12)21-14/h3-5,8-9H,6-7H2,1-2H3/t8-,9+

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Potential Energy
Epot(MMFF94)=72.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.807 g/mol  logS: -5.05354  SlogP: 3.9432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652475  Sterimol/B1: 3.229  Sterimol/B2: 3.64826  Sterimol/B3: 3.98593
  Sterimol/B4: 5.71319  Sterimol/L: 15.211 
 
 Surface and Volume Properties
  Accessible surface: 521.429  Positive charged surface: 283.933  Negative charged surface: 232.399  Volume: 279.75
  Hydrophobic surface: 442.939  Hydrophilic surface: 78.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.