LigandBoxID:D10170

SMILES: C1NCCC(c3ccccc3Sc2ccc(cc2)C)C1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D10170

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H22NS 284.446 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -3.8759 -10.7676
LOGS LOGP    
-5.3642 5.2139    

Links to the same SMILES compounds

LIGANDBOX D10171
PUBCHEM 24750955 24750956 24750958 24751089 24751582
24751583 24751714 25065410 25066041 58174495 9878913


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