LigandBoxID:D00139

NAME:Methoxsalen;Oxsoralen
SMILES: COc2c3occc3cc1C=CC(Oc21)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00139

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H8O4 216.192 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.9760 -9.0282
LOGS LOGP    
-2.8498 2.1970    

Links to the same SMILES compounds

LIGANDBOX C01864 HTS1610-00130443 KSH2016-00044895 PDB_8MO
CHEMBL CHEMBL416
ZINC ZINC02548959
PUBCHEM 192852 19759776 21856574 23313280 4114


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