D00512

LigandBoxID:D00512

NAME:Phenytoin;Dilantin
SMILES: OC3=NC(C(c1ccccc1)(c2ccccc2)N3)=O

2D	3D

SDF file D00512 [show] [download] [KEGG DRUG]	MOL2 file D00512-01 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C15H13N2O2	253.281	1	3
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
2	0	-5.9370	-13.3030
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.615509987E+00	0.516019412E-03	+	0.5736

Links to the same SMILES compounds

LIGANDBOX	C07443	D02103
CHEMBL	CHEMBL1611

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