Docking files Search

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O=C(NC1(=CC=CC=C1))C[N+](CC(=O)C2(=CC=CC=C2))(C)C

Molecule Name:	18427
Refractivity:	100.17
Resonant Structures:	None
topological PSA:	None
ASA hydrophobic:	None
ASA polar:	None
Accessible Surface Area:	None
cLogS:	-2.432
MW:	297.377
cLogP:	-1.3211
H-Acceptors:	4
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.80775661
Druglikeness:	1.0841
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	Low FHMT
Fish Toxicity2:	1.3325
Rat Acute Toxicity:	2.5486
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2+
Caco-2 Permeability2:	1.5012
P-glycoprotein Inhibitor2:	Substrate
P-glycoprotein Inhibitor:	Non-inhibitor
P-glycoprotein Inhibitor2:	Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition:	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Non-inhibitor
CYP450 2C9 Substrate:	Non-substrate
Tetrahymena Pyriformis Toxicity :	High TPT
Tetrahymena Pyriformis Toxicity2:	0.3281
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Substrate
CYP450 3A4 Substrate:	Non-inhibitor
CYP450 2C19 Inhibitor:	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:	Carcinogens
Blood-Brain Barrier:	BBB+
CYP Inhibitory Promiscuity:	High CYP Inhibitory Promiscuity
Honey Bee Toxicity:	Low HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Human Intestinal Absorption:	HIA-

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