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PUBCHEM-ZINC04418568

 MMsINC code: MMs03120197
Type: Neutral
Formula: C23H28FN3O2
SMILES:   Fc1ccc(cc1)CC(=O)Nc1cc(C(=O)NCCC)c(N2CCCCC2)cc1
InChI:   InChI=1/C23H28FN3O2/c1-2-12-25-23(29)20-16-19(10-11-21(20)27-13-4-3-5-14-27)26-22(28)15-17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.494 g/mol  logS: -5.06799  SlogP: 4.13697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641377  Sterimol/B1: 2.56508  Sterimol/B2: 3.87874  Sterimol/B3: 3.91501
  Sterimol/B4: 11.7177  Sterimol/L: 17.8927 
 
 Surface and Volume Properties
  Accessible surface: 709.719  Positive charged surface: 497.44  Negative charged surface: 212.279  Volume: 391.75
  Hydrophobic surface: 616.436  Hydrophilic surface: 93.283
 
 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.