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MAYBRIDGE-ZINC00082667

 MMsINC code: MMs02129138
Type: Neutral
Formula: C14H13NO3S
SMILES:   s1cc(NC(=O)c2ccccc2)c(C(OC)=O)c1C
InChI:   InChI=1/C14H13NO3S/c1-9-12(14(17)18-2)11(8-19-9)15-13(16)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=71.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.328 g/mol  logS: -3.70374  SlogP: 3.09542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198265  Sterimol/B1: 2.93476  Sterimol/B2: 3.14402  Sterimol/B3: 4.15391
  Sterimol/B4: 6.20355  Sterimol/L: 14.2855 
 
 Surface and Volume Properties
  Accessible surface: 497.163  Positive charged surface: 264.095  Negative charged surface: 233.068  Volume: 252.625
  Hydrophobic surface: 431.055  Hydrophilic surface: 66.108
 
 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.