LigandBoxID:D01269

NAME:Solifenacin succinate;Vesicare
SMILES: c1ccc(C5c4ccccc4CCN5C(OC3CN2CCC3CC2)=O)cc1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01269

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H27N2O2 363.481 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -3.8867 -11.7290
LOGS LOGP    
-4.7774 2.3686    

Links to the same SMILES compounds

LIGANDBOX D08522 HTS1610-01485959 HTS1610-01485960 HTS1610-01485961 HTS1610-01485962
CHEMBL CHEMBL1169543 CHEMBL1200803 CHEMBL1734 CHEMBL439867 CHEMBL606901
CHEMBL606902
ZINC ZINC03936683 ZINC06582254 ZINC11616187 ZINC11616188
PUBCHEM 11155731 11155732 11179798 11180888 11192383
11203539 11226435 11283811 11318489 11328935 11385208
11419755 11491042 11567492 11567493 11574853 11654184
11706835 11752973 154058 154059 15982869 15982870
216457 23154427 24811835 24961947 40469164 40627746
42066811 42645955 44120621 44197020 44197021 44197022
44197023 44197024 44197042 44197043 44197044 44197045
44197046 44197066 44197067 44197069 44198179 44198180
44198307 443937 443938 44404147 44404150 44632796
44632799 44632985 44632986 44632987 44632988 44633099
45040412 45040413 54746175 56599295 6098192 6321247
9885319


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