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Smile:
O=C(O)C2(=C(C(=O)NC1(=CC(=CC=C1)C))C=CC=C2)

Molecule Name:	6821
Refractivity:	73.89
Resonant Structures:	9
topological PSA:	66.40
ASA hydrophobic:	318.52
ASA polar:	88.44
Accessible Surface Area:	406.96
cLogS:	-3.485
MW:	255.272
cLogP:	2.6361
H-Acceptors:	4
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.693411761
Druglikeness:	0.54833
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Fish Toxicity2:	1.8558
Rat Acute Toxicity:	1.6567
Acute Oral Toxicity:	IV
Caco-2 Permeability:	Caco2+
Caco-2 Permeability2:	1.3041
P-glycoprotein Inhibitor2:	Non-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 :	Low TPT
Tetrahymena Pyriformis Toxicity2:	0.347
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-substrate
CYP450 3A4 Substrate:	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):	Non-required
Human Intestinal Absorption:	HIA+

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