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OTAVA-ZINC04641408

 MMsINC code: MMs02584996
Type: Neutral
Formula: C14H11F2NO4S
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C(O)=O)c1c(F)cccc1F
InChI:   InChI=1/C14H11F2NO4S/c15-11-2-1-3-12(16)13(11)22(20,21)17-8-9-4-6-10(7-5-9)14(18)19/h1-7,17H,8H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=4.63389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.307 g/mol  logS: -3.55012  SlogP: 2.4079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783301  Sterimol/B1: 2.85473  Sterimol/B2: 3.30781  Sterimol/B3: 5.0298
  Sterimol/B4: 5.65964  Sterimol/L: 16.1366 
 
 Surface and Volume Properties
  Accessible surface: 511.917  Positive charged surface: 241.877  Negative charged surface: 270.04  Volume: 261.25
  Hydrophobic surface: 335.724  Hydrophilic surface: 176.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02584997
OTAVA-ZINC04641408