LigandBoxID:D07782

NAME:Delavirdine
SMILES: CC(Nc3cccnc3N1CCN(C(c2nc4ccc(cc4c2)NS(=O)(=O)C)=O)CC1)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07782

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H28N6O3S 456.570 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.4455 -8.1026
LOGS LOGP    
$$$$ 1.4832    

Links to the same SMILES compounds

LIGANDBOX C06941 C08087 D00895 PDB_SPP
CHEMBL CHEMBL1795031 CHEMBL593 CHEMBL929
PUBCHEM 11970150 11970154 15955286 16729306 25085905
3001966 3001975 441386 460666 469279 469280
473442 475690 475691 485263 491089 49828920
54717609 5625 56666072 9574990 9811072


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