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ENAMINE-ZINC03430614

 MMsINC code: MMs01437308
Type: Neutral
Formula: C19H16FNO5S
SMILES:   S(=O)(=O)(NCc1occc1)c1ccc(cc1)C(OCc1ccccc1F)=O
InChI:   InChI=1/C19H16FNO5S/c20-18-6-2-1-4-15(18)13-26-19(22)14-7-9-17(10-8-14)27(23,24)21-12-16-5-3-11-25-16/h1-11,21H,12-13H2

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Potential Energy
Epot(MMFF94)=39.3177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.403 g/mol  logS: -5.18694  SlogP: 3.787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632465  Sterimol/B1: 2.43512  Sterimol/B2: 3.60788  Sterimol/B3: 5.10979
  Sterimol/B4: 7.13182  Sterimol/L: 19.3898 
 
 Surface and Volume Properties
  Accessible surface: 638.729  Positive charged surface: 296.291  Negative charged surface: 342.438  Volume: 339.125
  Hydrophobic surface: 497.544  Hydrophilic surface: 141.185
 
 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.