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ENAMINE-ZINC03288645

 MMsINC code: MMs01351935
Type: Neutral
Formula: C18H18FNO5S
SMILES:   S(=O)(=O)(NCCC(OCC(=O)c1ccc(cc1)C)=O)c1ccccc1F
InChI:   InChI=1/C18H18FNO5S/c1-13-6-8-14(9-7-13)16(21)12-25-18(22)10-11-20-26(23,24)17-5-3-2-4-15(17)19/h2-9,20H,10-12H2,1H3

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Potential Energy
Epot(MMFF94)=34.3889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.408 g/mol  logS: -4.3811  SlogP: 2.22862  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0206225  Sterimol/B1: 3.20615  Sterimol/B2: 3.56014  Sterimol/B3: 3.96132
  Sterimol/B4: 5.6403  Sterimol/L: 20.5136 
 
 Surface and Volume Properties
  Accessible surface: 635.494  Positive charged surface: 334.499  Negative charged surface: 300.995  Volume: 333.125
  Hydrophobic surface: 475.604  Hydrophilic surface: 159.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.