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NCID-ZINC01684595

 MMsINC code: MMs02317982
Type: Neutral
Formula: C10H13NO4S
SMILES:   S(=O)(=O)(N)c1ccccc1C(OC(C)C)=O
InChI:   InChI=1/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=26.5803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.283 g/mol  logS: -2.64764  SlogP: 0.8992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978745  Sterimol/B1: 2.11876  Sterimol/B2: 4.53439  Sterimol/B3: 4.70439
  Sterimol/B4: 5.40142  Sterimol/L: 12.1523 
 
 Surface and Volume Properties
  Accessible surface: 435.945  Positive charged surface: 251.499  Negative charged surface: 184.445  Volume: 210.875
  Hydrophobic surface: 272.125  Hydrophilic surface: 163.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.