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ENAMINE-ZINC06509658

 MMsINC code: MMs01666072
Type: Neutral
Formula: C11H15NO4S
SMILES:   S(=O)(=O)(N(C)C)c1cc(cc(C)c1C)C(O)=O
InChI:   InChI=1/C11H15NO4S/c1-7-5-9(11(13)14)6-10(8(7)2)17(15,16)12(3)4/h5-6H,1-4H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=52.6537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.31 g/mol  logS: -1.90223  SlogP: 1.25194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114306  Sterimol/B1: 2.08477  Sterimol/B2: 3.12824  Sterimol/B3: 4.44409
  Sterimol/B4: 7.51941  Sterimol/L: 12.6962 
 
 Surface and Volume Properties
  Accessible surface: 434.757  Positive charged surface: 271.353  Negative charged surface: 163.403  Volume: 227.125
  Hydrophobic surface: 284.258  Hydrophilic surface: 150.499
 
 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


MMs01666073
ENAMINE-ZINC06509658