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IBS-ZINC01302899

 MMsINC code: MMs01766684
Type: Neutral
Formula: C12H11NO3S2
SMILES:   S1\C(=C\c2cccc(OC)c2OC)\C(=O)NC1=S
InChI:   InChI=1/C12H11NO3S2/c1-15-8-5-3-4-7(10(8)16-2)6-9-11(14)13-12(17)18-9/h3-6H,1-2H3,(H,13,14,17)/b9-6+

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Potential Energy
Epot(MMFF94)=67.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -4.4447  SlogP: 2.1926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683121  Sterimol/B1: 2.55279  Sterimol/B2: 3.70016  Sterimol/B3: 4.47396
  Sterimol/B4: 5.52453  Sterimol/L: 15.8768 
 
 Surface and Volume Properties
  Accessible surface: 479.748  Positive charged surface: 278.112  Negative charged surface: 201.636  Volume: 243.625
  Hydrophobic surface: 280.716  Hydrophilic surface: 199.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.