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ENAMINE-ZINC05791796

 MMsINC code: MMs01639062
Type: Neutral
Formula: C20H19F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC(C)c2ccccc2)C1=O)C
InChI:   InChI=1/C20H19F2N3O3/c1-12(13-6-4-3-5-7-13)23-17(26)11-25-18(27)20(2,24-19(25)28)15-10-14(21)8-9-16(15)22/h3-10,12H,11H2,1-2H3,(H,23,26)(H,24,28)/t12-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.386 g/mol  logS: -4.98724  SlogP: 3.0162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073287  Sterimol/B1: 2.20472  Sterimol/B2: 3.06041  Sterimol/B3: 5.16172
  Sterimol/B4: 5.8407  Sterimol/L: 18.9584 
 
 Surface and Volume Properties
  Accessible surface: 627.377  Positive charged surface: 335.717  Negative charged surface: 291.66  Volume: 347.75
  Hydrophobic surface: 475.252  Hydrophilic surface: 152.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.