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CHEMBRIDGE-ZINC01232213

 MMsINC code: MMs00692695
Type: Neutral
Formula: C14H9NO2S2
SMILES:   S1\C(=C/c2oc(cc2)-c2ccccc2)\C(=O)NC1=S
InChI:   InChI=1/C14H9NO2S2/c16-13-12(19-14(18)15-13)8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H,15,16,18)/b12-8-

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Potential Energy
Epot(MMFF94)=30.3518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.363 g/mol  logS: -6.49069  SlogP: 3.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.93966e-07  Sterimol/B1: 2.33283  Sterimol/B2: 2.33317  Sterimol/B3: 4.71517
  Sterimol/B4: 6.71848  Sterimol/L: 14.2312 
 
 Surface and Volume Properties
  Accessible surface: 487.963  Positive charged surface: 206.443  Negative charged surface: 281.52  Volume: 252.625
  Hydrophobic surface: 302.525  Hydrophilic surface: 185.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.