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IBS-ZINC05429131

 MMsINC code: MMs01947032
Type: Ionized
Formula: C17H11FNO4S2-
SMILES:   S1\C(=C/c2oc(cc2)-c2ccccc2F)\C(=O)N(C(C(=O)[O-])C)C1=S
InChI:   InChI=1/C17H12FNO4S2/c1-9(16(21)22)19-15(20)14(25-17(19)24)8-10-6-7-13(23-10)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,21,22)/p-1/b14-8+/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=48.1305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.408 g/mol  logS: -7.26318  SlogP: 2.4253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513372  Sterimol/B1: 2.30867  Sterimol/B2: 3.84315  Sterimol/B3: 5.39942
  Sterimol/B4: 7.08328  Sterimol/L: 15.7966 
 
 Surface and Volume Properties
  Accessible surface: 568.471  Positive charged surface: 234.999  Negative charged surface: 333.472  Volume: 315.125
  Hydrophobic surface: 355.711  Hydrophilic surface: 212.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01947031
IBS-ZINC05429131