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O=C(N)C=1(N=CN(C=1O)C2(OC(CO)C(C2O)O))

Molecule Name:	4213
Refractivity:	55.55
Resonant Structures:	56
topological PSA:	151.06
ASA hydrophobic:	141.41
ASA polar:	240.17
Accessible Surface Area:	381.57
cLogS:	-0.829
MW:	259.217
cLogP:	-2.4258
H-Acceptors:	9
H-Donors:	5
Ro5 violations:	0
DrugScore:	0.83427108
Druglikeness:	0.98107
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	Low FHMT
Fish Toxicity2:	1.7336
Rat Acute Toxicity:	1.9278
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2-
Caco-2 Permeability2:	-0.1127
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 :	High TPT
Tetrahymena Pyriformis Toxicity2:	0.1067
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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