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ASINEX-ZINC04231145

 MMsINC code: MMs00320644
Type: Neutral
Formula: C23H21FN2O4
SMILES:   Fc1ccccc1C(=O)N(CC1=Cc2c(NC1=O)cc1OCOc1c2)C1CCCC1
InChI:   InChI=1/C23H21FN2O4/c24-18-8-4-3-7-17(18)23(28)26(16-5-1-2-6-16)12-15-9-14-10-20-21(30-13-29-20)11-19(14)25-22(15)27/h3-4,7-11,16H,1-2,5-6,12-13H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.429 g/mol  logS: -5.26526  SlogP: 3.9749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124841  Sterimol/B1: 2.8314  Sterimol/B2: 3.29709  Sterimol/B3: 5.14065
  Sterimol/B4: 9.55301  Sterimol/L: 15.2134 
 
 Surface and Volume Properties
  Accessible surface: 609.656  Positive charged surface: 402.937  Negative charged surface: 206.719  Volume: 367.75
  Hydrophobic surface: 505.815  Hydrophilic surface: 103.841
 
 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.