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PUBCHEM-ZINC05965676

 MMsINC code: MMs03465752
Type: Ionized
Formula: C15H13FNO3S2-
SMILES:   S1\C(=C/c2cc(F)ccc2)\C(=O)N(C(CCC)C(=O)[O-])C1=S
InChI:   InChI=1/C15H14FNO3S2/c1-2-4-11(14(19)20)17-13(18)12(22-15(17)21)8-9-5-3-6-10(16)7-9/h3,5-8,11H,2,4H2,1H3,(H,19,20)/p-1/b12-8+/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=40.6857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.403 g/mol  logS: -5.83342  SlogP: 1.9455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146714  Sterimol/B1: 2.4395  Sterimol/B2: 3.81028  Sterimol/B3: 4.66114
  Sterimol/B4: 7.54382  Sterimol/L: 13.1144 
 
 Surface and Volume Properties
  Accessible surface: 541.84  Positive charged surface: 243.727  Negative charged surface: 298.113  Volume: 294.375
  Hydrophobic surface: 330.623  Hydrophilic surface: 211.217
 
 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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MMs03465751
PUBCHEM-ZINC05965676