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COMGENEX-ZINC04421392

 MMsINC code: MMs01138307
Type: Neutral
Formula: C24H28FN3O
SMILES:   Fc1cc(NC(=O)N(Cc2n(ccc2)Cc2cc(ccc2)C)CCCC)ccc1
InChI:   InChI=1/C24H28FN3O/c1-3-4-13-28(24(29)26-22-11-6-10-21(25)16-22)18-23-12-7-14-27(23)17-20-9-5-8-19(2)15-20/h5-12,14-16H,3-4,13,17-18H2,1-2H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.506 g/mol  logS: -5.16125  SlogP: 6.35092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174226  Sterimol/B1: 2.27299  Sterimol/B2: 4.64482  Sterimol/B3: 4.86493
  Sterimol/B4: 10.7562  Sterimol/L: 17.5306 
 
 Surface and Volume Properties
  Accessible surface: 704.701  Positive charged surface: 427.638  Negative charged surface: 277.063  Volume: 401.375
  Hydrophobic surface: 639.886  Hydrophilic surface: 64.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.