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COMGENEX-ZINC04926195

 MMsINC code: MMs01169999
Type: Neutral
Formula: C24H28FN3O2
SMILES:   Fc1cc(ccc1)Cn1cccc1CN(CCCC)C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C24H28FN3O2/c1-3-4-14-28(24(29)26-21-10-12-23(30-2)13-11-21)18-22-9-6-15-27(22)17-19-7-5-8-20(25)16-19/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.505 g/mol  logS: -4.73771  SlogP: 6.0511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086582  Sterimol/B1: 2.41842  Sterimol/B2: 3.81581  Sterimol/B3: 5.54494
  Sterimol/B4: 10.457  Sterimol/L: 19.836 
 
 Surface and Volume Properties
  Accessible surface: 727.021  Positive charged surface: 457.513  Negative charged surface: 269.508  Volume: 410
  Hydrophobic surface: 640.606  Hydrophilic surface: 86.415
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.