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ENAMINE-ZINC05211132

 MMsINC code: MMs01597564
Type: Neutral
Formula: C20H17F2N3O3
SMILES:   Fc1cc(NC(=O)COC(=O)c2c(n(nc2C)-c2ccccc2)C)ccc1F
InChI:   InChI=1/C20H17F2N3O3/c1-12-19(13(2)25(24-12)15-6-4-3-5-7-15)20(27)28-11-18(26)23-14-8-9-16(21)17(22)10-14/h3-10H,11H2,1-2H3,(H,23,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.37 g/mol  logS: -5.13369  SlogP: 3.56284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866457  Sterimol/B1: 2.25263  Sterimol/B2: 4.18144  Sterimol/B3: 4.595
  Sterimol/B4: 7.31803  Sterimol/L: 19.5008 
 
 Surface and Volume Properties
  Accessible surface: 655.252  Positive charged surface: 338.372  Negative charged surface: 316.879  Volume: 344.125
  Hydrophobic surface: 558.505  Hydrophilic surface: 96.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.