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ENAMINE-ZINC05078692

 MMsINC code: MMs01584517
Type: Neutral
Formula: C18H19NO4S
SMILES:   s1cccc1C(=O)CCC(OCC(=O)NCc1ccc(cc1)C)=O
InChI:   InChI=1/C18H19NO4S/c1-13-4-6-14(7-5-13)11-19-17(21)12-23-18(22)9-8-15(20)16-3-2-10-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=47.4022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.419 g/mol  logS: -4.08286  SlogP: 3.14542  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0201366  Sterimol/B1: 2.76384  Sterimol/B2: 3.61749  Sterimol/B3: 3.61825
  Sterimol/B4: 5.4818  Sterimol/L: 22.9892 
 
 Surface and Volume Properties
  Accessible surface: 652.04  Positive charged surface: 367.6  Negative charged surface: 284.44  Volume: 326.125
  Hydrophobic surface: 519.647  Hydrophilic surface: 132.393
 
 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.