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PUBCHEM-ZINC05789490

 MMsINC code: MMs03385887
Type: Neutral
Formula: C10H11NO3S
SMILES:   s1ccc(\C=C/C(OC)=O)c1NC(=O)C
InChI:   InChI=1/C10H11NO3S/c1-7(12)11-10-8(5-6-15-10)3-4-9(13)14-2/h3-6H,1-2H3,(H,11,12)/b4-3-

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Potential Energy
Epot(MMFF94)=69.9529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.268 g/mol  logS: -2.44689  SlogP: 1.8927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977563  Sterimol/B1: 2.88847  Sterimol/B2: 2.99383  Sterimol/B3: 4.05931
  Sterimol/B4: 5.89404  Sterimol/L: 13.5902 
 
 Surface and Volume Properties
  Accessible surface: 426.432  Positive charged surface: 260.561  Negative charged surface: 165.871  Volume: 200.75
  Hydrophobic surface: 352.929  Hydrophilic surface: 73.503
 
 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.