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CHEMDIV-ZINC02479814

 MMsINC code: MMs00880074
Type: Neutral
Formula: C12H16FNO4S
SMILES:   S(=O)(=O)(NCCCCCC(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C12H16FNO4S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16/h5-8,14H,1-4,9H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=-1.90949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.327 g/mol  logS: -2.00091  SlogP: 1.749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610545  Sterimol/B1: 2.3777  Sterimol/B2: 3.74616  Sterimol/B3: 5.19191
  Sterimol/B4: 5.4592  Sterimol/L: 16.2457 
 
 Surface and Volume Properties
  Accessible surface: 516.099  Positive charged surface: 293.567  Negative charged surface: 222.532  Volume: 249.5
  Hydrophobic surface: 333.047  Hydrophilic surface: 183.052
 
 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


MMs00880075
CHEMDIV-ZINC02479814