LigandBoxID:D01220

NAME:Trapidil;Rocornal
SMILES: CCN(c2cc(nc1NCNn21)C)CC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01220

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H15N5 205.265 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.4025 -8.6047
LOGS LOGP    
-2.3679 3.1910    

Links to the same SMILES compounds

LIGANDBOX HTS1410-00279429


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