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ENAMINE-ZINC03885411

 MMsINC code: MMs01527245
Type: Neutral
Formula: C10H14N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(N)c(O)cc1
InChI:   InChI=1/C10H14N2O4S/c11-9-7-8(1-2-10(9)13)17(14,15)12-3-5-16-6-4-12/h1-2,7,13H,3-6,11H2

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Potential Energy
Epot(MMFF94)=55.8175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.298 g/mol  logS: -0.94885  SlogP: -0.0047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08033  Sterimol/B1: 2.56063  Sterimol/B2: 3.29405  Sterimol/B3: 3.62019
  Sterimol/B4: 5.60939  Sterimol/L: 12.6595 
 
 Surface and Volume Properties
  Accessible surface: 437.057  Positive charged surface: 302.648  Negative charged surface: 134.41  Volume: 217.75
  Hydrophobic surface: 267.549  Hydrophilic surface: 169.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.