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MAYBRIDGE-ZINC00140673

 MMsINC code: MMs02139425
Type: Neutral
Formula: C8H7Cl2NO3S
SMILES:   ClC(Cl)C(=O)Nc1ccsc1C(OC)=O
InChI:   InChI=1/C8H7Cl2NO3S/c1-14-8(13)5-4(2-3-15-5)11-7(12)6(9)10/h2-3,6H,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=55.5786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.12 g/mol  logS: -3.18666  SlogP: 2.6968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267963  Sterimol/B1: 2.52999  Sterimol/B2: 3.32399  Sterimol/B3: 3.87916
  Sterimol/B4: 6.60911  Sterimol/L: 13.5453 
 
 Surface and Volume Properties
  Accessible surface: 429.971  Positive charged surface: 178.14  Negative charged surface: 251.831  Volume: 202.375
  Hydrophobic surface: 239.597  Hydrophilic surface: 190.374
 
 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.