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ASINEX-ZINC01366641

 MMsINC code: MMs00249127
Type: Neutral
Formula: C23H23FN2O4
SMILES:   Fc1ccccc1C(=O)N(CC1=Cc2c(NC1=O)cc(OC)cc2)CC1OCCC1
InChI:   InChI=1/C23H23FN2O4/c1-29-17-9-8-15-11-16(22(27)25-21(15)12-17)13-26(14-18-5-4-10-30-18)23(28)19-6-2-3-7-20(19)24/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,25,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.445 g/mol  logS: -5.09964  SlogP: 3.4912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896059  Sterimol/B1: 3.7121  Sterimol/B2: 4.59608  Sterimol/B3: 5.32362
  Sterimol/B4: 5.75854  Sterimol/L: 17.6315 
 
 Surface and Volume Properties
  Accessible surface: 658.296  Positive charged surface: 440.681  Negative charged surface: 217.615  Volume: 381.25
  Hydrophobic surface: 564.773  Hydrophilic surface: 93.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.