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Ligand Properties of 66662686 compound from Dengue NS5 RdRp Library

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[H]C1=NC2=C([H])C([H])=C(C([H])=C2C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C1(C(=O)N2C([H])([H])C([H])([H])[C@@]3(OC(=O)C4=C3C([H])=C([H])N=C4[H])C2([H])[H])C([H])([H])C1([H])[H]

Molecule Name:	66662686
Refractivity:	136.22
Resonant Structures:	144
topological PSA:	81.62
ASA hydrophobic:	627.47
ASA polar:	98.55
Accessible Surface Area:	726.02
cLogS:	-5.13
MW:	491.546
cLogP:	3.562
H-Acceptors:	7
H-Donors:	0
Ro5 violations:	0
DrugScore:	0.302175448
Druglikeness:	4.6837
Irritant:	none
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6549
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2+
P-glycoprotein Inhibitor2:	Inhibitor
CYP450 2C9 Substrate:	Non-substrate
Human Ether-a-go-go-Related Gene Inhibition:	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Non-inhibitor
Caco-2 Permeability B:	0.6686
Tetrahymena Pyriformis Toxicity B:	0.4769
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	0.8729
CYP450 2C19 Inhibitor:	Inhibitor
CYP450 2C9 Inhibitor:	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:	High CYP Inhibitory Promiscuity
Honey Bee Toxicity:	Low HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Tetrahymena Pyriformis Toxicity:	High TPT
P-glycoprotein Inhibitor:	Inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 66662686 compound from Dengue NS5 RdRp Library

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