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ASINEX-ZINC01359566

 MMsINC code: MMs00245696
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1ccc(cc1)C(=O)N(Cc1cc2c(nc1O)c(cc(c2)C)C)Cc1occc1
InChI:   InChI=1/C24H21FN2O3/c1-15-10-16(2)22-18(11-15)12-19(23(28)26-22)13-27(14-21-4-3-9-30-21)24(29)17-5-7-20(25)8-6-17/h3-12H,13-14H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=190.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.441 g/mol  logS: -6.17961  SlogP: 5.66474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585461  Sterimol/B1: 1.969  Sterimol/B2: 3.45224  Sterimol/B3: 4.02643
  Sterimol/B4: 9.39239  Sterimol/L: 16.5267 
 
 Surface and Volume Properties
  Accessible surface: 600.988  Positive charged surface: 349.17  Negative charged surface: 247.804  Volume: 369.25
  Hydrophobic surface: 484.192  Hydrophilic surface: 116.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.