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CHEMBRIDGE-ZINC01194229

 MMsINC code: MMs00685287
Type: Neutral
Formula: C14H8FNO2S2
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2)\C(=O)NC1=S
InChI:   InChI=1/C14H8FNO2S2/c15-9-3-1-8(2-4-9)11-6-5-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)/b12-7+

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Potential Energy
Epot(MMFF94)=48.1742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.353 g/mol  logS: -6.78567  SlogP: 3.5745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00316735  Sterimol/B1: 2.37218  Sterimol/B2: 2.4239  Sterimol/B3: 3.71819
  Sterimol/B4: 6.60495  Sterimol/L: 15.457 
 
 Surface and Volume Properties
  Accessible surface: 492.864  Positive charged surface: 199.739  Negative charged surface: 293.125  Volume: 252.625
  Hydrophobic surface: 313.314  Hydrophilic surface: 179.55
 
 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.