LigandBoxID:D00646

NAME:Tolterodine
SMILES: CC(N(CCC(c2cc(ccc2O)C)c1ccccc1)C(C)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00646

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H32NO 326.504 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -3.9007 -11.3257
LOGS LOGP    
-4.7523 5.7096    

Links to the same SMILES compounds

LIGANDBOX C07750 D01148 HTS1610-00155935 HTS1610-00155936 HTS1610-00262269
HTS1610-00262270
CHEMBL CHEMBL1200871 CHEMBL1382 CHEMBL1722209
ZINC ZINC00968335 ZINC00968336
PUBCHEM 10029439 10391809 10434174 10459514 11574560
11582373 11677256 11691408 11755619 11756199 123605
15978916 16037926 16226307 16725073 20097382 25119183
25137865 25213536 25213537 25213538 25213776 25213777
25213778 25213779 25213780 29010897 29010898 44187004
44192250 44193562 44193563 44193564 44193654 44193655
44193656 44193657 44193658 44251853 443878 443879
45040547 45275250 46911937 5512 58312572 59668258
60774 9847786 9895641


[Back to top page]