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CHEMDIV-ZINC02479814

 MMsINC code: MMs00880075
Type: Ionized
Formula: C12H15FNO4S-
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)/p-1

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Potential Energy
Epot(MMFF94)=-1.41495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.319 g/mol  logS: -2.26136  SlogP: 0.4143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797966  Sterimol/B1: 2.47554  Sterimol/B2: 3.64128  Sterimol/B3: 5.35464
  Sterimol/B4: 5.64584  Sterimol/L: 15.6391 
 
 Surface and Volume Properties
  Accessible surface: 517.373  Positive charged surface: 268.391  Negative charged surface: 248.982  Volume: 249.625
  Hydrophobic surface: 331.406  Hydrophilic surface: 185.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00880074
CHEMDIV-ZINC02479814