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ENAMINE-ZINC06583754

 MMsINC code: MMs01677493
Type: Neutral
Formula: C22H24F2N2O4
SMILES:   Fc1cccc(F)c1C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(OCCC)=O
InChI:   InChI=1/C22H24F2N2O4/c1-4-12-30-22(29)14-8-10-15(11-9-14)25-21(28)19(13(2)3)26-20(27)18-16(23)6-5-7-17(18)24/h5-11,13,19H,4,12H2,1-3H3,(H,25,28)(H,26,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.5176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.44 g/mol  logS: -5.75886  SlogP: 3.9247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300856  Sterimol/B1: 3.00674  Sterimol/B2: 4.06555  Sterimol/B3: 5.05041
  Sterimol/B4: 5.85745  Sterimol/L: 21.9916 
 
 Surface and Volume Properties
  Accessible surface: 705.969  Positive charged surface: 416.224  Negative charged surface: 289.745  Volume: 387
  Hydrophobic surface: 553.4  Hydrophilic surface: 152.569
 
 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.