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PUBCHEM-ZINC06528505

 MMsINC code: MMs03784289
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1cc(ccc1)COc1ccccc1\C=C/1\C(=O)N(C2CCCCC2)C(=O)NC\1=O
InChI:   InChI=1/C24H23FN2O4/c25-18-9-6-7-16(13-18)15-31-21-12-5-4-8-17(21)14-20-22(28)26-24(30)27(23(20)29)19-10-2-1-3-11-19/h4-9,12-14,19H,1-3,10-11,15H2,(H,26,28,30)/b20-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -6.28951  SlogP: 4.4656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062404  Sterimol/B1: 2.53325  Sterimol/B2: 3.39273  Sterimol/B3: 3.97283
  Sterimol/B4: 11.1116  Sterimol/L: 16.5956 
 
 Surface and Volume Properties
  Accessible surface: 688.805  Positive charged surface: 425.177  Negative charged surface: 263.628  Volume: 386.625
  Hydrophobic surface: 572.105  Hydrophilic surface: 116.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.