LigandBoxID:D01224

NAME:Phenylpropanolamine hydrochloride
SMILES: CC(C(c1ccccc1)O)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01224

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H14NO 152.217 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 2 -4.0619 -13.1461
LOGS LOGP    
-2.0378 2.6860    

Links to the same SMILES compounds

LIGANDBOX C02343 C07911 C08300 C16719 D07627
D07628 D08368 PDB_NPU
CHEMBL CHEMBL1200695 CHEMBL1323705 CHEMBL136560 CHEMBL1412041 CHEMBL1574804
CHEMBL1616525 CHEMBL1788114 CHEMBL61006
ZINC ZINC00001100 ZINC00001930 ZINC00157545 ZINC00157548
PUBCHEM 10080695 10297 109138 11030559 12218596
162265 16399447 16758090 18997944 197733 198220
20043553 20359000 21118464 21118465 21126628 21981100
23275937 24183098 24848382 25022045 26934 3037196
3037280 3247599 43833471 441457 44147325 44150382
46782581 46782582 4786 49853399 49853400 49853402
49853403 51371377 56841641 57724729 59952108 62941
62942 62943 62944 6433169 6918945 6931753
6931754 9065 92920


[Back to top page]