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CHEMBRIDGE-ZINC04749991

 MMsINC code: MMs00783505
Type: Neutral
Formula: C13H9ClFNO3S
SMILES:   Clc1cccc(F)c1C(=O)Nc1ccsc1C(OC)=O
InChI:   InChI=1/C13H9ClFNO3S/c1-19-13(18)11-9(5-6-20-11)16-12(17)10-7(14)3-2-4-8(10)15/h2-6H,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=58.3234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.736 g/mol  logS: -4.57254  SlogP: 3.5795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965849  Sterimol/B1: 1.969  Sterimol/B2: 3.86592  Sterimol/B3: 4.75603
  Sterimol/B4: 8.28392  Sterimol/L: 13.8945 
 
 Surface and Volume Properties
  Accessible surface: 501.388  Positive charged surface: 230.383  Negative charged surface: 271.005  Volume: 250.75
  Hydrophobic surface: 442.212  Hydrophilic surface: 59.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.