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IBS-ZINC02090535

 MMsINC code: MMs01782109
Type: Neutral
Formula: C11H17NO4S
SMILES:   S(O)(=O)(=O)N(CCc1ccccc1)CC(O)C
InChI:   InChI=1/C11H17NO4S/c1-10(13)9-12(17(14,15)16)8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H,14,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=0.826758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.326 g/mol  logS: -1.338  SlogP: 0.14897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670799  Sterimol/B1: 2.24655  Sterimol/B2: 2.823  Sterimol/B3: 3.17831
  Sterimol/B4: 7.01463  Sterimol/L: 13.3863 
 
 Surface and Volume Properties
  Accessible surface: 456.125  Positive charged surface: 262.25  Negative charged surface: 193.874  Volume: 233.75
  Hydrophobic surface: 309.469  Hydrophilic surface: 146.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01782110
IBS-ZINC02090535