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AURORAFEINCHEMIE-ZINC06664169

 MMsINC code: MMs00477297
Type: Neutral
Formula: C18H19FN2O3
SMILES:   Fc1ccc(cc1)CNC(=O)C(N1C(=O)C2C(CC=CC2)C1=O)C
InChI:   InChI=1/C18H19FN2O3/c1-11(16(22)20-10-12-6-8-13(19)9-7-12)21-17(23)14-4-2-3-5-15(14)18(21)24/h2-3,6-9,11,14-15H,4-5,10H2,1H3,(H,20,22)/t11-,14+,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.359 g/mol  logS: -2.68739  SlogP: 2.048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670737  Sterimol/B1: 2.24525  Sterimol/B2: 3.97657  Sterimol/B3: 4.36088
  Sterimol/B4: 5.74018  Sterimol/L: 18.3567 
 
 Surface and Volume Properties
  Accessible surface: 572.066  Positive charged surface: 334.426  Negative charged surface: 237.64  Volume: 306
  Hydrophobic surface: 426.65  Hydrophilic surface: 145.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.