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ASINEX-ZINC01902848

 MMsINC code: MMs00259686
Type: Ionized
Formula: C11H14NO5S-
SMILES:   S(=O)(=O)(NCCCC(=O)[O-])c1ccc(OC)cc1
InChI:   InChI=1/C11H15NO5S/c1-17-9-4-6-10(7-5-9)18(15,16)12-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=6.89758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.301 g/mol  logS: -1.61322  SlogP: -0.4964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108679  Sterimol/B1: 2.97926  Sterimol/B2: 3.75398  Sterimol/B3: 4.06208
  Sterimol/B4: 7.57043  Sterimol/L: 14.3626 
 
 Surface and Volume Properties
  Accessible surface: 487.511  Positive charged surface: 282.173  Negative charged surface: 205.338  Volume: 238.25
  Hydrophobic surface: 292.339  Hydrophilic surface: 195.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:


MMs00259685
ASINEX-ZINC01902848