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ENAMINE-ZINC06551777

 MMsINC code: MMs01671823
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccc(cc1)CCNC(=O)COC(=O)c1cc(nc2c1cccc2)-c1occc1
InChI:   InChI=1/C24H19FN2O4/c25-17-9-7-16(8-10-17)11-12-26-23(28)15-31-24(29)19-14-21(22-6-3-13-30-22)27-20-5-2-1-4-18(19)20/h1-10,13-14H,11-12,15H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.424 g/mol  logS: -6.6147  SlogP: 4.14957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193703  Sterimol/B1: 2.56277  Sterimol/B2: 3.67413  Sterimol/B3: 3.67578
  Sterimol/B4: 10.7247  Sterimol/L: 20.7452 
 
 Surface and Volume Properties
  Accessible surface: 722.207  Positive charged surface: 393.629  Negative charged surface: 323.042  Volume: 386.75
  Hydrophobic surface: 612.663  Hydrophilic surface: 109.544
 
 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.