LigandBoxID:D03690

NAME:Desciclovir
SMILES: OCCOCn1cnc2cnc(nc21)N

2D 3D


SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03690

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H11N5O2 209.209 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.2170 -8.9700
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.287429988E+00 0.187767821E-02 + 0.7497

Links to the same SMILES compounds

PUBCHEM 55256

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