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Ligand Properties of 53019143 compound from Dengue NS5 RdRp Library

Smile:
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C(O1)C1=NN(C2=C1C([H])([H])N(C([H])([H])C2([H])[H])S(=O)(=O)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H]

Molecule Name:	53019143
Refractivity:	163.06
Resonant Structures:	136
topological PSA:	94.12
ASA hydrophobic:	579.34
ASA polar:	111.24
Accessible Surface Area:	690.58
cLogS:	-5.876
MW:	475.572
cLogP:	3.0795
H-Acceptors:	8
H-Donors:	0
Ro5 violations:	0
DrugScore:	0.339052648
Druglikeness:	1.2639
Irritant:	none
Mutagenic:	none
Reproductive Effective:	low
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.5357
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2-
P-glycoprotein Inhibitor2:	Non-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:	0.8279
Tetrahymena Pyriformis Toxicity B:	0.5163
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.6417
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:	Non-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 53019143 compound from Dengue NS5 RdRp Library

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