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ASINEX-ZINC00333505

MMsINC code: MMs00119943

Type: Neutral
Formula: C15H17NO5S
SMILES:   S(=O)(=O)(Nc1cc(OC)c(O)c(OC)c1)c1ccc(cc1)C
InChI:   InChI=1/C15H17NO5S/c1-10-4-6-12(7-5-10)22(18,19)16-11-8-13(20-2)15(17)14(9-11)21-3/h4-9,16-17H,1-3H3

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Potential Energy
Epot(MMFF94)=69.1088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.369 g/mol  logS: -3.25945  SlogP: 2.51862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201741  Sterimol/B1: 2.61352  Sterimol/B2: 5.37794  Sterimol/B3: 5.61117
  Sterimol/B4: 5.64844  Sterimol/L: 14.0405 
 
 Surface and Volume Properties
  Accessible surface: 531.489  Positive charged surface: 362.21  Negative charged surface: 169.279  Volume: 286.5
  Hydrophobic surface: 389.724  Hydrophilic surface: 141.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.