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ASINEX-ZINC00856168

 MMsINC code: MMs00195112
Type: Neutral
Formula: C21H23NO4
SMILES:   O(C)c1cc(ccc1OC)-c1nc(c2cc(OC)c(OC)cc2c1)CC
InChI:   InChI=1/C21H23NO4/c1-6-16-15-12-21(26-5)20(25-4)11-14(15)9-17(22-16)13-7-8-18(23-2)19(10-13)24-3/h7-12H,6H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.418 g/mol  logS: -5.11648  SlogP: 4.49857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192984  Sterimol/B1: 2.05098  Sterimol/B2: 2.51079  Sterimol/B3: 3.6768
  Sterimol/B4: 9.7923  Sterimol/L: 17.9126 
 
 Surface and Volume Properties
  Accessible surface: 642.767  Positive charged surface: 489.861  Negative charged surface: 135.38  Volume: 348.625
  Hydrophobic surface: 576.871  Hydrophilic surface: 65.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.