HTS1710-04347972

LigandBoxID:HTS1710-04347972-01

SMILES: CC(CCC2CCCCN2C(CCN1C=CC=CC1=O)=O)C

2D	3D
	select 3D conformers:
SDF file HTS1710-04347972-01 [show] [download]	MOL2 file HTS1710-04347972-01: [show] [download] HTS1710-04347972-02: [show] [download]

Compound ID of the source

Namiki1710

NS-019736433-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H28N2O2	304.434	0	0
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
2	1	-0.0029	-8.6878
LOGS	LOGP
-3.196	2.427

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-06363122

HTS1610-06363123

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