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CHEMDIV-ZINC00183370

 MMsINC code: MMs00836496
Type: Neutral
Formula: C10H13NO5S
SMILES:   S(=O)(=O)(NCC(OC)=O)c1ccc(OC)cc1
InChI:   InChI=1/C10H13NO5S/c1-15-8-3-5-9(6-4-8)17(13,14)11-7-10(12)16-2/h3-6,11H,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=31.6314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.282 g/mol  logS: -1.68141  SlogP: 0.1465  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0799072  Sterimol/B1: 2.33126  Sterimol/B2: 3.44971  Sterimol/B3: 4.17582
  Sterimol/B4: 7.11701  Sterimol/L: 14.7102 
 
 Surface and Volume Properties
  Accessible surface: 467.691  Positive charged surface: 305.431  Negative charged surface: 162.26  Volume: 220.75
  Hydrophobic surface: 325.63  Hydrophilic surface: 142.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.