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Ligand Properties of SN00428028 compound from SuperNatural II Library

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[CH3:1][C:2]1=[CH:3][C:4]([OH:5])=[C:6]([C:10](=[O:11])\[CH:12]=[CH:13]/[C:14]2=[CH:15][C:16]3=[C:17]([O:18][C:19]2=[O:20])[C@H:21]2[CH2:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][C:30](=[CH:31]3)[C@H:32]24)[C:7](=[O:8])[O:9]1

Molecule Name:	SN00428028
Refractivity:	119.38
Resonant Structures:	200
topological PSA:	100.96
ASA hydrophobic:	410.40
ASA polar:	133.02
Accessible Surface Area:	543.42
cLogS:	-3.204
MW:	421.448
cLogP:	4.7411
H-Acceptors:	7
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.611753023
Druglikeness:	3.1434
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Fish Toxicity2:	1.2579
Rat Acute Toxicity:	2.5193
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2+
Caco-2 Permeability2:	0.8306
P-glycoprotein Inhibitor2:	Substrate
P-glycoprotein Inhibitor:	Non-inhibitor
P-glycoprotein Inhibitor2:	Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition:	Strong inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Non-inhibitor
CYP450 2C9 Substrate:	Non-substrate
Tetrahymena Pyriformis Toxicity :	High TPT
Tetrahymena Pyriformis Toxicity2:	0.1809
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Substrate:	Substrate
CYP450 3A4 Inhibitor:	Non-inhibitor
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	Non-inhibitor
CYP450 2D6 Substrate:	Non-substrate
Biodegradation:	Not ready biodegradable
Carcinogens:	Non-carcinogens
Blood-Brain Barrier:	BBB-
CYP Inhibitory Promiscuity:	Low CYP Inhibitory Promiscuity
Honey Bee Toxicity:	Low HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Danger
Human Intestinal Absorption:	HIA+

Ligand Properties of SN00428028 compound from SuperNatural II Library

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