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NCID-ZINC01642895

 MMsINC code: MMs02284555
Type: Neutral
Formula: C20H22O3
SMILES:   O1c2c(cc(OC)c(C)c2C=C)CCc2c1ccc(OC)c2C
InChI:   InChI=1/C20H22O3/c1-6-15-12(2)19(22-5)11-14-7-8-16-13(3)17(21-4)9-10-18(16)23-20(14)15/h6,9-11H,1,7-8H2,2-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.393 g/mol  logS: -4.59143  SlogP: 4.85448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784698  Sterimol/B1: 2.19886  Sterimol/B2: 3.06891  Sterimol/B3: 4.41742
  Sterimol/B4: 8.54851  Sterimol/L: 15.9218 
 
 Surface and Volume Properties
  Accessible surface: 554.077  Positive charged surface: 416.574  Negative charged surface: 137.504  Volume: 318.125
  Hydrophobic surface: 524.496  Hydrophilic surface: 29.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.