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ENAMINE-ZINC03434038

 MMsINC code: MMs01439352
Type: Neutral
Formula: C20H23NO4S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(OCc1cc(ccc1C)C)=O
InChI:   InChI=1/C20H23NO4S/c1-15-5-6-16(2)18(13-15)14-25-20(22)17-7-9-19(10-8-17)26(23,24)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=61.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.473 g/mol  logS: -4.94829  SlogP: 3.71134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554752  Sterimol/B1: 2.20718  Sterimol/B2: 3.87137  Sterimol/B3: 4.39377
  Sterimol/B4: 8.26264  Sterimol/L: 17.7206 
 
 Surface and Volume Properties
  Accessible surface: 646.542  Positive charged surface: 384.246  Negative charged surface: 262.296  Volume: 355.5
  Hydrophobic surface: 547.413  Hydrophilic surface: 99.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.