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Ligand Properties of 67133415 compound from Dengue NS5 RdRp Library

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[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]1([H])C(=O)N([H])C(=O)[C@@]1([H])C1=C([H])N2C3=C(C([H])=C([H])C([H])=C13)C([H])([H])C([H])([H])C2([H])[H]

Molecule Name:	67133415
Refractivity:	138.20
Resonant Structures:	200
topological PSA:	76.12
ASA hydrophobic:	616.25
ASA polar:	91.85
Accessible Surface Area:	708.09
cLogS:	-6.426
MW:	475.547
cLogP:	5.7729
H-Acceptors:	6
H-Donors:	2
Ro5 violations:	1
DrugScore:	0.110275356
Druglikeness:	4.1075
Irritant:	none
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.7617
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:	1.1789
Tetrahymena Pyriformis Toxicity B:	0.4025
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.1918
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:	High CYP Inhibitory Promiscuity
Honey Bee Toxicity:	Low HBT
Renal Organic Cation Transporter:	Inhibitor
Carcinogenicity (Three-class):	Non-required
Tetrahymena Pyriformis Toxicity:	High TPT
P-glycoprotein Inhibitor:	Non-inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 67133415 compound from Dengue NS5 RdRp Library

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