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ENAMINE-ZINC04988267

 MMsINC code: MMs01572924
Type: Neutral
Formula: C22H23F2NO5
SMILES:   Fc1cc(F)ccc1C(NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C
InChI:   InChI=1/C22H23F2NO5/c1-14(19-9-6-16(23)11-20(19)24)25-21(26)13-30-22(27)15-4-7-17(8-5-15)29-12-18-3-2-10-28-18/h4-9,11,14,18H,2-3,10,12-13H2,1H3,(H,25,26)/t14-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.7625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.424 g/mol  logS: -5.36965  SlogP: 3.6523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256958  Sterimol/B1: 1.969  Sterimol/B2: 3.36681  Sterimol/B3: 5.77988
  Sterimol/B4: 6.71536  Sterimol/L: 23.2126 
 
 Surface and Volume Properties
  Accessible surface: 729.226  Positive charged surface: 446.524  Negative charged surface: 282.701  Volume: 382.625
  Hydrophobic surface: 614.036  Hydrophilic surface: 115.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.