LigandBoxID:D01521

NAME:Pipethanate hydrochloride;Glymor
SMILES: C1CCCN(CCOC(C(c2ccccc2)(c3ccccc3)O)=O)C1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01521

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26NO3 340.443 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.2008 -11.8017
LOGS LOGP    
-4.3305 4.3680    

Links to the same SMILES compounds

LIGANDBOX D08384
CHEMBL CHEMBL1722893
PUBCHEM 20673 20674 21124683 23724801 24183861


[Back to top page]