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PUBCHEM-ZINC03138726

 MMsINC code: MMs03000456
Type: Neutral
Formula: C10H10N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)-c1ocnc1)C
InChI:   InChI=1/C10H10N2O3S/c1-16(13,14)12-9-4-2-8(3-5-9)10-6-11-7-15-10/h2-7,12H,1H3

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Potential Energy
Epot(MMFF94)=32.6384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.267 g/mol  logS: -2.43257  SlogP: 1.7131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736927  Sterimol/B1: 2.301  Sterimol/B2: 2.46431  Sterimol/B3: 4.36711
  Sterimol/B4: 4.8809  Sterimol/L: 14.0011 
 
 Surface and Volume Properties
  Accessible surface: 420.959  Positive charged surface: 256.849  Negative charged surface: 164.11  Volume: 203.5
  Hydrophobic surface: 258.495  Hydrophilic surface: 162.464
 
 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.