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ENAMINE-ZINC05943857

 MMsINC code: MMs01648295
Type: Neutral
Formula: C20H18F3N3O2
SMILES:   FC(F)(F)c1ccccc1NC(=O)C=1C(NC(=O)NC=1C)c1ccccc1C
InChI:   InChI=1/C20H18F3N3O2/c1-11-7-3-4-8-13(11)17-16(12(2)24-19(28)26-17)18(27)25-15-10-6-5-9-14(15)20(21,22)23/h3-10,17H,1-2H3,(H,25,27)(H2,24,26,28)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.377 g/mol  logS: -5.63629  SlogP: 4.68742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23169  Sterimol/B1: 2.87645  Sterimol/B2: 3.3394  Sterimol/B3: 6.05259
  Sterimol/B4: 8.74756  Sterimol/L: 14.5938 
 
 Surface and Volume Properties
  Accessible surface: 562.971  Positive charged surface: 286.204  Negative charged surface: 276.768  Volume: 334.25
  Hydrophobic surface: 392.576  Hydrophilic surface: 170.395
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.