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ASINEX-ZINC02672399

 MMsINC code: MMs00276102
Type: Neutral
Formula: C16H10FNO4S2
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2)\C(=O)N(CC(O)=O)C1=S
InChI:   InChI=1/C16H10FNO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7+

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Potential Energy
Epot(MMFF94)=60.3054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.389 g/mol  logS: -6.67552  SlogP: 3.3715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025923  Sterimol/B1: 2.94976  Sterimol/B2: 3.28375  Sterimol/B3: 4.13132
  Sterimol/B4: 7.17753  Sterimol/L: 15.7712 
 
 Surface and Volume Properties
  Accessible surface: 549.733  Positive charged surface: 231.245  Negative charged surface: 318.488  Volume: 295.625
  Hydrophobic surface: 332.186  Hydrophilic surface: 217.547
 
 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


MMs00276103
ASINEX-ZINC02672399