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COMGENEX-ZINC06774940

 MMsINC code: MMs01207047
Type: Neutral
Formula: C24H25FN2O
SMILES:   Fc1cc(ccc1)Cn1c2c(CCCC2)c(C)c1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C24H25FN2O/c1-16-7-5-10-20(13-16)26-24(28)23-17(2)21-11-3-4-12-22(21)27(23)15-18-8-6-9-19(25)14-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.475 g/mol  logS: -5.6311  SlogP: 5.68978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140848  Sterimol/B1: 2.3847  Sterimol/B2: 5.25378  Sterimol/B3: 5.98271
  Sterimol/B4: 7.05779  Sterimol/L: 16.2046 
 
 Surface and Volume Properties
  Accessible surface: 645.001  Positive charged surface: 400.453  Negative charged surface: 244.549  Volume: 378.25
  Hydrophobic surface: 605.223  Hydrophilic surface: 39.778
 
 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.