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COMGENEX-ZINC06871927

 MMsINC code: MMs01218959
Type: Neutral
Formula: C24H25FN2O2
SMILES:   Fc1ccc(NC(=O)c2n(c3c(CCCC3)c2C)Cc2cc(OC)ccc2)cc1
InChI:   InChI=1/C24H25FN2O2/c1-16-21-8-3-4-9-22(21)27(15-17-6-5-7-20(14-17)29-2)23(16)24(28)26-19-12-10-18(25)11-13-19/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.6904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.474 g/mol  logS: -5.20756  SlogP: 5.38996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099571  Sterimol/B1: 2.20434  Sterimol/B2: 3.20143  Sterimol/B3: 5.73034
  Sterimol/B4: 9.4141  Sterimol/L: 16.815 
 
 Surface and Volume Properties
  Accessible surface: 655.144  Positive charged surface: 428.554  Negative charged surface: 226.59  Volume: 386.125
  Hydrophobic surface: 604.38  Hydrophilic surface: 50.764
 
 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.