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Ligand Properties of 46613081 compound from Dengue NS5 RdRp Library

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[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])N(N=C2C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]

Molecule Name:	46613081
Refractivity:	143.03
Resonant Structures:	84
topological PSA:	67.23
ASA hydrophobic:	713.12
ASA polar:	81.93
Accessible Surface Area:	795.04
cLogS:	-5.336
MW:	496.584
cLogP:	4.2264
H-Acceptors:	6
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.449786875
Druglikeness:	5.774
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6055
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:	0.6433
Tetrahymena Pyriformis Toxicity B:	0.4976
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.2843
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:	Inhibitor
P-glycoprotein Substrate:	Non-substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 46613081 compound from Dengue NS5 RdRp Library

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