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PUBCHEM-ZINC04469633

 MMsINC code: MMs03123335
Type: Neutral
Formula: C12H10N2O3S2
SMILES:   S1\C(=C/c2cc(O)ccc2)\C(=O)N(NC(=O)C)C1=S
InChI:   InChI=1/C12H10N2O3S2/c1-7(15)13-14-11(17)10(19-12(14)18)6-8-3-2-4-9(16)5-8/h2-6,16H,1H3,(H,13,15)/b10-6+

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Potential Energy
Epot(MMFF94)=73.0107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.355 g/mol  logS: -4.16785  SlogP: 1.6445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608437  Sterimol/B1: 2.62668  Sterimol/B2: 2.88624  Sterimol/B3: 3.44302
  Sterimol/B4: 7.06295  Sterimol/L: 13.6992 
 
 Surface and Volume Properties
  Accessible surface: 487.467  Positive charged surface: 224.926  Negative charged surface: 262.542  Volume: 248.625
  Hydrophobic surface: 255.847  Hydrophilic surface: 231.62
 
 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.