LigandBoxID:PDB_78H

NAME:78H;7,8-DIHYDROPTEROATE
SMILES: OC(c1ccc(cc1)NCc2cnc3N=C(NC(c3n2)=O)N)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
78H(PDBeCHEM) 78H(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H13N6O3 313.297 -1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 0.9227 -4.3183
LOGS LOGP    
-3.7119 -0.2964    

Links to the same SMILES compounds

LIGANDBOX C00921 KSH2016-03969330
ZINC ZINC18182503


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