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ASINEX-ZINC00663106

 MMsINC code: MMs00146778
Type: Neutral
Formula: C20H23NO5S
SMILES:   s1c2c(CC(OC2)(C)C)c(C(OCC)=O)c1NC(=O)COc1ccccc1
InChI:   InChI=1/C20H23NO5S/c1-4-24-19(23)17-14-10-20(2,3)26-11-15(14)27-18(17)21-16(22)12-25-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=114.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.472 g/mol  logS: -5.21305  SlogP: 4.05997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033187  Sterimol/B1: 2.40358  Sterimol/B2: 2.53799  Sterimol/B3: 4.78998
  Sterimol/B4: 10.1405  Sterimol/L: 19.5121 
 
 Surface and Volume Properties
  Accessible surface: 673.903  Positive charged surface: 423.05  Negative charged surface: 250.853  Volume: 361.25
  Hydrophobic surface: 515.769  Hydrophilic surface: 158.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.