D01384

LigandBoxID:D01384

NAME:Tolciclate
SMILES: Cc1cccc(N(C(Oc3ccc4C2CCC(c4c3)C2)=S)C)c1

2D	3D

SDF file D01384 [show] [download] [KEGG DRUG]	MOL2 file D01384-01 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C20H21NOS	323.459	0	0
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
1	2	-0.4810	-7.4240
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.579766989E+01	0.834080040E+00	+	1.6824

Links to the same SMILES compounds

PUBCHEM

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