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ENAMINE-ZINC02005601

 MMsINC code: MMs01247508
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C13H10FNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=45.2814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.29 g/mol  logS: -3.3111  SlogP: 2.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.322859  Sterimol/B1: 3.04752  Sterimol/B2: 3.31948  Sterimol/B3: 5.3645
  Sterimol/B4: 6.43217  Sterimol/L: 10.7329 
 
 Surface and Volume Properties
  Accessible surface: 457.783  Positive charged surface: 218.642  Negative charged surface: 239.141  Volume: 238.25
  Hydrophobic surface: 303.123  Hydrophilic surface: 154.66
 
 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


MMs01247509
ENAMINE-ZINC02005601