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IBS-ZINC00407282

 MMsINC code: MMs01735823
Type: Neutral
Formula: C19H18O4
SMILES:   O1C=C(C(=O)c2cc(CC)c(OC)cc12)c1ccc(OC)cc1
InChI:   InChI=1/C19H18O4/c1-4-12-9-15-18(10-17(12)22-3)23-11-16(19(15)20)13-5-7-14(21-2)8-6-13/h5-11H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.349 g/mol  logS: -5.03573  SlogP: 3.88237  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0357409  Sterimol/B1: 2.29026  Sterimol/B2: 2.35691  Sterimol/B3: 4.02732
  Sterimol/B4: 6.56781  Sterimol/L: 18.0173 
 
 Surface and Volume Properties
  Accessible surface: 564.224  Positive charged surface: 383.414  Negative charged surface: 180.81  Volume: 303.5
  Hydrophobic surface: 498.161  Hydrophilic surface: 66.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.