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NCID-ZINC01866546

 MMsINC code: MMs02375341
Type: Neutral
Formula: C11H16N2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1)NC(OC(C)(C)C)=O
InChI:   InChI=1/C11H16N2O4S/c1-11(2,3)17-10(14)13-18(15,16)12-9-7-5-4-6-8-9/h4-8,12H,1-3H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=-19.5902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.325 g/mol  logS: -2.5658  SlogP: 1.868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108422  Sterimol/B1: 3.1277  Sterimol/B2: 4.04428  Sterimol/B3: 4.32688
  Sterimol/B4: 5.00656  Sterimol/L: 13.4616 
 
 Surface and Volume Properties
  Accessible surface: 479.144  Positive charged surface: 267.312  Negative charged surface: 211.832  Volume: 242.625
  Hydrophobic surface: 299.113  Hydrophilic surface: 180.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.