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PUBCHEM-ZINC00334841

 MMsINC code: MMs02657479
Type: Neutral
Formula: C10H10N2O2S
SMILES:   s1ccnc1NC(O)c1ccc(O)cc1
InChI:   InChI=1/C10H10N2O2S/c13-8-3-1-7(2-4-8)9(14)12-10-11-5-6-15-10/h1-6,9,13-14H,(H,11,12)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=21.6202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.268 g/mol  logS: -1.73685  SlogP: 2.0472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772775  Sterimol/B1: 2.5093  Sterimol/B2: 2.69582  Sterimol/B3: 4.15805
  Sterimol/B4: 5.136  Sterimol/L: 13.9346 
 
 Surface and Volume Properties
  Accessible surface: 422.091  Positive charged surface: 235.95  Negative charged surface: 186.14  Volume: 197.875
  Hydrophobic surface: 285.016  Hydrophilic surface: 137.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.