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ASINEX-ZINC04231150

 MMsINC code: MMs00320649
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1ccc(cc1)C(=O)N(CC1=Cc2c(NC1=O)cc1OCOc1c2)C1CCCCC1
InChI:   InChI=1/C24H23FN2O4/c25-18-8-6-15(7-9-18)24(29)27(19-4-2-1-3-5-19)13-17-10-16-11-21-22(31-14-30-21)12-20(16)26-23(17)28/h6-12,19H,1-5,13-14H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=286.872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -5.78048  SlogP: 4.365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203218  Sterimol/B1: 2.87993  Sterimol/B2: 5.0074  Sterimol/B3: 5.13443
  Sterimol/B4: 7.954  Sterimol/L: 15.5098 
 
 Surface and Volume Properties
  Accessible surface: 628.645  Positive charged surface: 395.961  Negative charged surface: 232.684  Volume: 378.625
  Hydrophobic surface: 486.226  Hydrophilic surface: 142.419
 
 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.