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PUBCHEM-ZINC04833116

 MMsINC code: MMs03177513
Type: Neutral
Formula: C23H26F2N2O2
SMILES:   Fc1ccccc1C(=O)N(CCCNC(=O)c1ccccc1F)C1CCCCC1
InChI:   InChI=1/C23H26F2N2O2/c24-20-13-6-4-11-18(20)22(28)26-15-8-16-27(17-9-2-1-3-10-17)23(29)19-12-5-7-14-21(19)25/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=269.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.469 g/mol  logS: -5.62836  SlogP: 4.5598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686664  Sterimol/B1: 2.51056  Sterimol/B2: 4.53633  Sterimol/B3: 5.7063
  Sterimol/B4: 6.27364  Sterimol/L: 19.4064 
 
 Surface and Volume Properties
  Accessible surface: 660.786  Positive charged surface: 395.994  Negative charged surface: 264.792  Volume: 376.375
  Hydrophobic surface: 599.322  Hydrophilic surface: 61.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.