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ASINEX-ZINC00183594

 MMsINC code: MMs00087084
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OC)=O)Cc1ccccc1
InChI:   InChI=1/C15H15NO4S/c1-20-15(17)13-7-9-14(10-8-13)16-21(18,19)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3

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Potential Energy
Epot(MMFF94)=59.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.37249  SlogP: 2.6815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072076  Sterimol/B1: 3.20268  Sterimol/B2: 3.80519  Sterimol/B3: 3.82887
  Sterimol/B4: 6.33159  Sterimol/L: 16.6515 
 
 Surface and Volume Properties
  Accessible surface: 537.793  Positive charged surface: 321.948  Negative charged surface: 215.845  Volume: 273.875
  Hydrophobic surface: 419.276  Hydrophilic surface: 118.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.