HTS1710-01044254

LigandBoxID:HTS1710-01044254-01

SMILES: Cc2ccc(N4CC3(CC4=O)CCN(C1CCOCC1)C3)s2

2D	3D
	select 3D conformers:
SDF file HTS1710-01044254-01 [show] [download]	MOL2 file HTS1710-01044254-01: [show] [download] HTS1710-01044254-02: [show] [download]

Compound ID of the source

Namiki1710

NS-012161391-0001

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C17H25N2O2S	321.464	1	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
2	2	-3.9938	-10.7632
LOGS	LOGP
-5.220	4.660

Links to the same SMILES compounds

PUBCHEM

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-01546903

HTS1610-01546904

KSH2016-02373728

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