HTS1710-03803793

LigandBoxID:HTS1710-03803793-01

SMILES: COCc3ccccc3C(NCC1CCN(c2ccc(c(c2)F)F)C1)=O

2D	3D
	select 3D conformers:
SDF file HTS1710-03803793-01 [show] [download]	MOL2 file HTS1710-03803793-01: [show] [download] HTS1710-03803793-02: [show] [download]

Compound ID of the source

Namiki1710

NS-018381962-0000

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C20H22N2O2F2	360.404	0	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
2	1	-0.1868	-8.4338
LOGS	LOGP
-5.749	4.655

Links to the same SMILES compounds

PUBCHEM

Links to the another version LigandBox compounds (same SMILES)

201610_2

HTS1610-05483058

HTS1610-05483059

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