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CHEMBRIDGE-ZINC04947789

 MMsINC code: MMs00812507
Type: Neutral
Formula: C24H30F2N2O2
SMILES:   Fc1cc(NC(=O)CCCCCCCCCCC(=O)Nc2cc(F)ccc2)ccc1
InChI:   InChI=1/C24H30F2N2O2/c25-19-11-9-13-21(17-19)27-23(29)15-7-5-3-1-2-4-6-8-16-24(30)28-22-14-10-12-20(26)18-22/h9-14,17-18H,1-8,15-16H2,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.3657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.512 g/mol  logS: -7.43206  SlogP: 6.443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00999136  Sterimol/B1: 2.09722  Sterimol/B2: 2.39254  Sterimol/B3: 3.59919
  Sterimol/B4: 5.33576  Sterimol/L: 28.3182 
 
 Surface and Volume Properties
  Accessible surface: 786.951  Positive charged surface: 513.719  Negative charged surface: 273.232  Volume: 412.125
  Hydrophobic surface: 703.364  Hydrophilic surface: 83.587
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.