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Smile:
O5(C(OC4(CC3(C(C2(C(O)(C1(C(C(C(CCCC(CO)C)C)C(C1O)O)(C)CC2))CC3O))(C)CC4)))C(OC)C(O)C(C5)O)

CAS Number:	100007-38-3
SMILES format:	O5(C(OC4(CC3(C(C2(C(O)(C1(C(C(C(CCCC(CO)C)C)C(C1O)O)(C)CC2))CC3O))(C)CC4)))C(OC)C(O)C(C5)O)
Polar Surface Area:	169.30
cLogS:	-4.306
MW:	614.814
cLogP:	2.1734
H-Acceptors:	10
H-Donors:	7
Ro5 violations:	2
DrugScore:	0.2433248
Druglikeness:	-10.303
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Fish Toxicity2:	1.8537
Rat Acute Toxicity:	3.7135
Acute Oral Toxicity:	I
Caco-2 Permeability:	Caco2-
Caco-2 Permeability2:	-0.3567
P-glycoprotein Inhibitor2:	Substrate
P-glycoprotein Inhibitor:	Inhibitor
P-glycoprotein Inhibitor2:	Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition:	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Inhibitor
CYP450 2C9 Substrate:	Non-substrate
Tetrahymena Pyriformis Toxicity :	High TPT
Tetrahymena Pyriformis Toxicity2:	0.9072
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
CYP450 3A4 Substrate:	Substrate
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:	High HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Human Intestinal Absorption:	HIA-