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CHEMDIV-ZINC06921337

 MMsINC code: MMs01063532
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccccc1C1N(Cc2ccccc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-21-15-9-8-14-20(21)23-24(29)26(19-12-6-1-2-7-13-19)17-22(28)27(23)16-18-10-4-3-5-11-18/h3-5,8-11,14-15,19,23H,1-2,6-7,12-13,16-17H2/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.68968  SlogP: 4.8225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169012  Sterimol/B1: 2.42725  Sterimol/B2: 3.35406  Sterimol/B3: 5.4113
  Sterimol/B4: 11.2174  Sterimol/L: 14.3634 
 
 Surface and Volume Properties
  Accessible surface: 637.473  Positive charged surface: 396.919  Negative charged surface: 240.554  Volume: 385.375
  Hydrophobic surface: 594.469  Hydrophilic surface: 43.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.