LigandBoxID:D00148

NAME:Phytonadione;Phytomenadione;Mephyton;Vitamin K1
SMILES: CC(CCCC(CCCC(CCCC(=CCc1c(c(c2ccccc2c1=O)=O)C)C)C)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00148

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C31H46O2 450.707 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -1.4371 -9.5866
LOGS LOGP    
-11.9225 7.7172    

Links to the same SMILES compounds

LIGANDBOX C02059 HTS1610-00572004 HTS1610-00572005 PDB_PQN
CHEMBL CHEMBL1550 CHEMBL520156
ZINC ZINC03831329 ZINC03831330 ZINC03831331 ZINC03831332 ZINC11592578
PUBCHEM 10863350 10961411 20839546 21155401 21896458
4812 5280483 5284607 5315258 53442273 54591936
54708631 54715363 56965123 57138572 57369436 6473923
7048753 7048754 7048755 9846607


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