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ENAMINE-ZINC05517786

 MMsINC code: MMs01619525
Type: Neutral
Formula: C19H15ClF3N3O2
SMILES:   Clc1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)Nc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C19H15ClF3N3O2/c1-10-15(16(26-18(28)24-10)11-5-7-13(20)8-6-11)17(27)25-14-4-2-3-12(9-14)19(21,22)23/h2-9,16H,1H3,(H,25,27)(H2,24,26,28)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.795 g/mol  logS: -5.89666  SlogP: 5.0324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185252  Sterimol/B1: 2.49545  Sterimol/B2: 3.85715  Sterimol/B3: 4.80025
  Sterimol/B4: 10.3795  Sterimol/L: 15.0874 
 
 Surface and Volume Properties
  Accessible surface: 600.593  Positive charged surface: 246.602  Negative charged surface: 353.991  Volume: 333.875
  Hydrophobic surface: 380.568  Hydrophilic surface: 220.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.