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ENAMINE-ZINC05792315

 MMsINC code: MMs01639187
Type: Neutral
Formula: C20H18F2N4O4
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O)C
InChI:   InChI=1/C20H18F2N4O4/c1-20(14-9-13(21)7-8-15(14)22)17(28)26(19(30)25-20)11-16(27)24-18(29)23-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,25,30)(H2,23,24,27,29)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.56 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.384 g/mol  logS: -4.88856  SlogP: 2.3357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607082  Sterimol/B1: 2.70919  Sterimol/B2: 2.97189  Sterimol/B3: 4.99724
  Sterimol/B4: 7.4144  Sterimol/L: 18.8734 
 
 Surface and Volume Properties
  Accessible surface: 664.568  Positive charged surface: 370.254  Negative charged surface: 294.314  Volume: 356.5
  Hydrophobic surface: 461.427  Hydrophilic surface: 203.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.