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AURORAFEINCHEMIE-ZINC06777917

 MMsINC code: MMs00481118
Type: Neutral
Formula: C18H19FN2O3
SMILES:   Fc1ccccc1CNC(=O)C(N1C(=O)C2C(CC=CC2)C1=O)C
InChI:   InChI=1/C18H19FN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2-6,9,11,13-14H,7-8,10H2,1H3,(H,20,22)/t11-,13-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.084 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: 0.0616899  Sterimol/B1: 2.31978  Sterimol/B2: 3.35384  Sterimol/B3: 4.74169
  Sterimol/B4: 5.64121  Sterimol/L: 17.9491 
 
 Surface and Volume Properties
  Accessible surface: 571.857  Positive charged surface: 336.829  Negative charged surface: 235.028  Volume: 306.375
  Hydrophobic surface: 426.488  Hydrophilic surface: 145.369
 
 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.