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ASINEX-ZINC05000195

 MMsINC code: MMs00429197
Type: Neutral
Formula: C19H19F2N3O3
SMILES:   Fc1ccccc1NC(=O)N1CC(O)CC1C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C19H19F2N3O3/c20-13-7-5-12(6-8-13)10-22-18(26)17-9-14(25)11-24(17)19(27)23-16-4-2-1-3-15(16)21/h1-8,14,17,25H,9-11H2,(H,22,26)(H,23,27)/t14-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.4202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.375 g/mol  logS: -4.0007  SlogP: 2.5147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460371  Sterimol/B1: 2.36566  Sterimol/B2: 2.60171  Sterimol/B3: 4.17654
  Sterimol/B4: 9.6892  Sterimol/L: 18.0285 
 
 Surface and Volume Properties
  Accessible surface: 633.839  Positive charged surface: 369.468  Negative charged surface: 264.371  Volume: 332
  Hydrophobic surface: 520.849  Hydrophilic surface: 112.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.