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ASINEX-ZINC02379770

 MMsINC code: MMs00270532
Type: Neutral
Formula: C11H15NO4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CCC(O)=O)C
InChI:   InChI=1/C11H15NO4S/c1-17(15,16)12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=11.4278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.31 g/mol  logS: -1.12024  SlogP: 1.1893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137722  Sterimol/B1: 2.33592  Sterimol/B2: 2.52515  Sterimol/B3: 4.75943
  Sterimol/B4: 7.33631  Sterimol/L: 13.1051 
 
 Surface and Volume Properties
  Accessible surface: 447.354  Positive charged surface: 246.936  Negative charged surface: 200.418  Volume: 229.5
  Hydrophobic surface: 282.914  Hydrophilic surface: 164.44
 
 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


MMs00270533
ASINEX-ZINC02379770