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CHEMBLOCK-ZINC03623748

 MMsINC code: MMs00538595
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(NCc1ccccc1C)c1cc(ccc1F)C(O)=O
InChI:   InChI=1/C15H14FNO4S/c1-10-4-2-3-5-12(10)9-17-22(20,21)14-8-11(15(18)19)6-7-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=22.0779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -3.72906  SlogP: 2.57722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101504  Sterimol/B1: 2.46287  Sterimol/B2: 4.25913  Sterimol/B3: 4.52253
  Sterimol/B4: 6.90906  Sterimol/L: 16.0165 
 
 Surface and Volume Properties
  Accessible surface: 519.935  Positive charged surface: 252.815  Negative charged surface: 267.12  Volume: 274.125
  Hydrophobic surface: 342.485  Hydrophilic surface: 177.45
 
 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


MMs00538596
CHEMBLOCK-ZINC03623748