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PUBCHEM-ZINC06226681

 MMsINC code: MMs03621732
Type: Neutral
Formula: C24H24FN3O2
SMILES:   Fc1cc(ccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)c(N(C)C)cc1
InChI:   InChI=1/C24H24FN3O2/c1-28(2)22-12-11-20(27-23(29)18-9-6-10-19(25)15-18)16-21(22)24(30)26-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,30)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.473 g/mol  logS: -5.55276  SlogP: 4.11647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474081  Sterimol/B1: 2.33691  Sterimol/B2: 2.67053  Sterimol/B3: 4.76757
  Sterimol/B4: 10.9945  Sterimol/L: 20.3543 
 
 Surface and Volume Properties
  Accessible surface: 724.291  Positive charged surface: 453.909  Negative charged surface: 270.382  Volume: 394.875
  Hydrophobic surface: 655.11  Hydrophilic surface: 69.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.