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ASINEX-ZINC02765565

 MMsINC code: MMs00277738
Type: Neutral
Formula: C13H19NO4S
SMILES:   S(=O)(=O)(NC(CCCC)C(O)=O)Cc1ccccc1
InChI:   InChI=1/C13H19NO4S/c1-2-3-9-12(13(15)16)14-19(17,18)10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=26.1825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.364 g/mol  logS: -2.72216  SlogP: 2.0158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841184  Sterimol/B1: 2.09758  Sterimol/B2: 3.81112  Sterimol/B3: 3.928
  Sterimol/B4: 7.55154  Sterimol/L: 16.0242 
 
 Surface and Volume Properties
  Accessible surface: 519.123  Positive charged surface: 312.397  Negative charged surface: 206.726  Volume: 264.25
  Hydrophobic surface: 351.894  Hydrophilic surface: 167.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00277739
ASINEX-ZINC02765565