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ASINEX-ZINC04884980

 MMsINC code: MMs00393865
Type: Neutral
Formula: C23H23FN2O4
SMILES:   Fc1ccc(cc1)C1NC(C2C1C(=O)N(CC)C2=O)(C(OCC)=O)c1ccccc1
InChI:   InChI=1/C23H23FN2O4/c1-3-26-20(27)17-18(21(26)28)23(22(29)30-4-2,15-8-6-5-7-9-15)25-19(17)14-10-12-16(24)13-11-14/h5-13,17-19,25H,3-4H2,1-2H3/t17-,18-,19+,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.14 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.445 g/mol  logS: -4.51538  SlogP: 2.9567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215603  Sterimol/B1: 2.54237  Sterimol/B2: 3.92766  Sterimol/B3: 4.38968
  Sterimol/B4: 11.3513  Sterimol/L: 14.0241 
 
 Surface and Volume Properties
  Accessible surface: 618.582  Positive charged surface: 371.618  Negative charged surface: 246.964  Volume: 374.5
  Hydrophobic surface: 492.505  Hydrophilic surface: 126.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.