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CHEMBRIDGE-ZINC01160543

 MMsINC code: MMs00675938
Type: Neutral
Formula: C17H10FNO3S2
SMILES:   S1\C(=C\c2ccc(cc2)C(O)=O)\C(=O)N(c2ccccc2F)C1=S
InChI:   InChI=1/C17H10FNO3S2/c18-12-3-1-2-4-13(12)19-15(20)14(24-17(19)23)9-10-5-7-11(8-6-10)16(21)22/h1-9H,(H,21,22)/b14-9-

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Potential Energy
Epot(MMFF94)=108.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.401 g/mol  logS: -6.32619  SlogP: 3.9297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365584  Sterimol/B1: 2.69853  Sterimol/B2: 3.82938  Sterimol/B3: 4.54006
  Sterimol/B4: 5.55199  Sterimol/L: 17.9915 
 
 Surface and Volume Properties
  Accessible surface: 558.525  Positive charged surface: 236.541  Negative charged surface: 321.984  Volume: 298.125
  Hydrophobic surface: 335.367  Hydrophilic surface: 223.158
 
 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


MMs00675939
CHEMBRIDGE-ZINC01160543