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IFLAB-ZINC02454736

 MMsINC code: MMs01988818
Type: Neutral
Formula: C10H7NOS3
SMILES:   S1\C(=C/c2ccccc2O)\C(=S)NC1=S
InChI:   InChI=1/C10H7NOS3/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-

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Potential Energy
Epot(MMFF94)=60.1251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.37 g/mol  logS: -5.21695  SlogP: 2.6818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222319  Sterimol/B1: 2.84258  Sterimol/B2: 3.03163  Sterimol/B3: 3.40505
  Sterimol/B4: 6.58939  Sterimol/L: 12.7009 
 
 Surface and Volume Properties
  Accessible surface: 428.628  Positive charged surface: 163.329  Negative charged surface: 265.299  Volume: 211
  Hydrophobic surface: 170.791  Hydrophilic surface: 257.837
 
 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.