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CHEMDIV-ZINC03038957

 MMsINC code: MMs00906549
Type: Neutral
Formula: C24H26F2N2O2
SMILES:   Fc1ccccc1C1N(Cc2ccc(F)cc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C24H26F2N2O2/c25-18-13-11-17(12-14-18)15-28-22(29)16-27(19-7-3-1-2-4-8-19)24(30)23(28)20-9-5-6-10-21(20)26/h5-6,9-14,19,23H,1-4,7-8,15-16H2/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.48 g/mol  logS: -5.98466  SlogP: 4.9616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169342  Sterimol/B1: 3.31977  Sterimol/B2: 3.51912  Sterimol/B3: 5.23048
  Sterimol/B4: 10.5595  Sterimol/L: 14.3785 
 
 Surface and Volume Properties
  Accessible surface: 639.776  Positive charged surface: 386.551  Negative charged surface: 253.225  Volume: 386.375
  Hydrophobic surface: 596.324  Hydrophilic surface: 43.452
 
 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.