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ENAMINE-ZINC05791845

 MMsINC code: MMs01639070
Type: Neutral
Formula: C20H19F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NCCc2ccccc2)C1=O)C
InChI:   InChI=1/C20H19F2N3O3/c1-20(15-11-14(21)7-8-16(15)22)18(27)25(19(28)24-20)12-17(26)23-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,26)(H,24,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.386 g/mol  logS: -4.7215  SlogP: 2.40217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534534  Sterimol/B1: 2.20897  Sterimol/B2: 3.13187  Sterimol/B3: 5.59616
  Sterimol/B4: 5.64816  Sterimol/L: 20.1079 
 
 Surface and Volume Properties
  Accessible surface: 638.039  Positive charged surface: 352.631  Negative charged surface: 285.408  Volume: 344.875
  Hydrophobic surface: 493.886  Hydrophilic surface: 144.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.