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ASINEX-ZINC02372161

 MMsINC code: MMs00270407
Type: Neutral
Formula: C19H21NO4S
SMILES:   s1c2c(CC(OC2)(C)C)c(C(OCC)=O)c1NC(=O)c1ccccc1
InChI:   InChI=1/C19H21NO4S/c1-4-23-18(22)15-13-10-19(2,3)24-11-14(13)25-17(15)20-16(21)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=101.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.446 g/mol  logS: -5.13623  SlogP: 4.29477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486497  Sterimol/B1: 2.37443  Sterimol/B2: 2.52365  Sterimol/B3: 4.74772
  Sterimol/B4: 9.84922  Sterimol/L: 17.331 
 
 Surface and Volume Properties
  Accessible surface: 617.624  Positive charged surface: 373.656  Negative charged surface: 243.968  Volume: 335.75
  Hydrophobic surface: 472.459  Hydrophilic surface: 145.165
 
 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.