KSH2017-03389069

LigandBoxID:KSH2017-03389069-01

SMILES: O=C(c4ncccc4C1CCC1)Nc3cccnc3C2CC2

2D	3D

SDF file KSH2017-03389069-01 [show] [download]	MOL2 file KSH2017-03389069-01: [show] [download]

Compound ID of the source

Kishida2017

KL-001-3341-484

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H19N3O	293.370	0	1
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
3	0	-0.4862	-8.8418
LOGS	LOGP
-4.972	4.104

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