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PUBCHEM-ZINC04591307

 MMsINC code: MMs03138779
Type: Neutral
Formula: C23H23FN4O2
SMILES:   Fc1ccc(cc1)-c1nn(c(c1)C(=O)N1CCC(CC1)C(=O)N)-c1cc(ccc1)C
InChI:   InChI=1/C23H23FN4O2/c1-15-3-2-4-19(13-15)28-21(14-20(26-28)16-5-7-18(24)8-6-16)23(30)27-11-9-17(10-12-27)22(25)29/h2-8,13-14,17H,9-12H2,1H3,(H2,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.461 g/mol  logS: -5.48335  SlogP: 3.32432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139872  Sterimol/B1: 2.19556  Sterimol/B2: 2.84768  Sterimol/B3: 5.87941
  Sterimol/B4: 12.444  Sterimol/L: 14.6477 
 
 Surface and Volume Properties
  Accessible surface: 674.632  Positive charged surface: 408.849  Negative charged surface: 265.783  Volume: 381.375
  Hydrophobic surface: 541.238  Hydrophilic surface: 133.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.