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CHEMBRIDGE-ZINC02738650

 MMsINC code: MMs00714494
Type: Neutral
Formula: C13H10ClNO3S
SMILES:   Clc1cc(ccc1)C(=O)Nc1ccsc1C(OC)=O
InChI:   InChI=1/C13H10ClNO3S/c1-18-13(17)11-10(5-6-19-11)15-12(16)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=59.2144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.746 g/mol  logS: -4.27756  SlogP: 3.4404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00565447  Sterimol/B1: 2.34296  Sterimol/B2: 2.40374  Sterimol/B3: 3.27319
  Sterimol/B4: 8.21421  Sterimol/L: 14.1262 
 
 Surface and Volume Properties
  Accessible surface: 492.908  Positive charged surface: 231.807  Negative charged surface: 261.1  Volume: 249.75
  Hydrophobic surface: 430.133  Hydrophilic surface: 62.775
 
 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.