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IBS-ZINC05489074

 MMsINC code: MMs01953446
Type: Ionized
Formula: C18H13FNO4S2-
SMILES:   S1\C(=C/c2oc(cc2)-c2ccccc2F)\C(=O)N(C(CC)C(=O)[O-])C1=S
InChI:   InChI=1/C18H14FNO4S2/c1-2-13(17(22)23)20-16(21)15(26-18(20)25)9-10-7-8-14(24-10)11-5-3-4-6-12(11)19/h3-9,13H,2H2,1H3,(H,22,23)/p-1/b15-9+/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=47.7692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.435 g/mol  logS: -7.46495  SlogP: 2.8154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671087  Sterimol/B1: 2.17157  Sterimol/B2: 3.23536  Sterimol/B3: 5.78295
  Sterimol/B4: 7.8707  Sterimol/L: 15.6858 
 
 Surface and Volume Properties
  Accessible surface: 579.257  Positive charged surface: 244.229  Negative charged surface: 335.028  Volume: 334.375
  Hydrophobic surface: 370.522  Hydrophilic surface: 208.735
 
 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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MMs01953445
IBS-ZINC05489074