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PUBCHEM-ZINC05821575

MMsINC code: MMs03400607

Type: Neutral
Formula: C19H22O2
SMILES:   O(CCCC)c1ccc(cc1)\C=C\c1ccc(OC)cc1
InChI:   InChI=1/C19H22O2/c1-3-4-15-21-19-13-9-17(10-14-19)6-5-16-7-11-18(20-2)12-8-16/h5-14H,3-4,15H2,1-2H3/b6-5+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=79.0937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.383 g/mol  logS: -5.40402  SlogP: 5.0445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00600296  Sterimol/B1: 2.37446  Sterimol/B2: 2.37747  Sterimol/B3: 3.79287
  Sterimol/B4: 5.34507  Sterimol/L: 21.6519 
 
 Surface and Volume Properties
  Accessible surface: 597.421  Positive charged surface: 392.522  Negative charged surface: 204.899  Volume: 303.5
  Hydrophobic surface: 557.835  Hydrophilic surface: 39.586
 
 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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.