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ENAMINE-ZINC03550222

 MMsINC code: MMs01503119
Type: Neutral
Formula: C20H18F3N3O3
SMILES:   FC(F)(F)CNC(=O)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C20H18F3N3O3/c21-20(22,23)13-24-16(27)12-26-17(28)19(25-18(26)29,15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,24,27)(H,25,29)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.376 g/mol  logS: -4.88732  SlogP: 3.08627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127383  Sterimol/B1: 2.55287  Sterimol/B2: 3.74093  Sterimol/B3: 4.06297
  Sterimol/B4: 11.6424  Sterimol/L: 14.5844 
 
 Surface and Volume Properties
  Accessible surface: 621.569  Positive charged surface: 299.639  Negative charged surface: 321.93  Volume: 347.375
  Hydrophobic surface: 408.972  Hydrophilic surface: 212.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.