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ENAMINE-ZINC03186058

 MMsINC code: MMs01299436
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C13H10FNO4S/c14-11-6-1-2-7-12(11)15-20(18,19)10-5-3-4-9(8-10)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=44.5306 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: 0.231655  Sterimol/B1: 3.29048  Sterimol/B2: 3.60342  Sterimol/B3: 4.6454
  Sterimol/B4: 6.94735  Sterimol/L: 10.6831 
 
 Surface and Volume Properties
  Accessible surface: 463.36  Positive charged surface: 221.619  Negative charged surface: 241.741  Volume: 240
  Hydrophobic surface: 292.004  Hydrophilic surface: 171.356
 
 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


MMs01299437
ENAMINE-ZINC03186058