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CHEMBLOCK-ZINC03415998

 MMsINC code: MMs00537824
Type: Neutral
Formula: C11H14FNO4S
SMILES:   S(=O)(=O)(N(CCCC(O)=O)C)c1ccc(F)cc1
InChI:   InChI=1/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=12.9225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.3 g/mol  logS: -1.67295  SlogP: 1.311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657908  Sterimol/B1: 2.21673  Sterimol/B2: 2.47333  Sterimol/B3: 4.4161
  Sterimol/B4: 6.85453  Sterimol/L: 15.2688 
 
 Surface and Volume Properties
  Accessible surface: 470.252  Positive charged surface: 267.946  Negative charged surface: 202.307  Volume: 234.625
  Hydrophobic surface: 321.532  Hydrophilic surface: 148.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00537825
CHEMBLOCK-ZINC03415998