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Ligand Properties of 68563659 compound from Dengue NS5 RdRp Library

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[H]N1C([H])=C(C2=C([H])C([H])=C(C([H])=C12)C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])N(C(=O)C2=C([H])C(C#N)=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]

Molecule Name:	68563659
Refractivity:	142.54
Resonant Structures:	170
topological PSA:	83.44
ASA hydrophobic:	640.87
ASA polar:	101.94
Accessible Surface Area:	742.81
cLogS:	-4.636
MW:	483.614
cLogP:	4.6666
H-Acceptors:	7
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.476178588
Druglikeness:	3.0472
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.7076
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:	Inhibitor
Caco-2 Permeability B:	0.7768
Tetrahymena Pyriformis Toxicity B:	0.4193
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.3829
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:	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 68563659 compound from Dengue NS5 RdRp Library

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