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ENAMINE-ZINC06623433

 MMsINC code: MMs01687094
Type: Neutral
Formula: C20H16FNO4S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(OCc1ccc(F)cc1)=O)c1ccccc1
InChI:   InChI=1/C20H16FNO4S/c21-17-11-9-15(10-12-17)14-26-20(23)16-5-4-6-18(13-16)22-27(24,25)19-7-2-1-3-8-19/h1-13,22H,14H2

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Potential Energy
Epot(MMFF94)=64.5194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.415 g/mol  logS: -5.49133  SlogP: 4.2499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863471  Sterimol/B1: 2.56349  Sterimol/B2: 4.11962  Sterimol/B3: 4.28056
  Sterimol/B4: 7.14122  Sterimol/L: 17.3881 
 
 Surface and Volume Properties
  Accessible surface: 635.226  Positive charged surface: 314.506  Negative charged surface: 320.72  Volume: 337.375
  Hydrophobic surface: 514.537  Hydrophilic surface: 120.689
 
 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.