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Ligand Properties of 42598694 compound from Dengue NS5 RdRp Library

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[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C(=O)[C@@]1(C([H])([H])C2([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])N(C([H])([H])[H])[C@]11C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C1=O

Molecule Name:	42598694
Refractivity:	134.31
Resonant Structures:	164
topological PSA:	70.24
ASA hydrophobic:	547.44
ASA polar:	47.33
Accessible Surface Area:	594.77
cLogS:	-6.28
MW:	460.532
cLogP:	4.7167
H-Acceptors:	5
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.230445325
Druglikeness:	4.4622
Irritant:	none
Mutagenic:	none
Reproductive Effective:	high
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6972
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:	1.3199
Tetrahymena Pyriformis Toxicity B:	0.6278
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.1545
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:	Inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 42598694 compound from Dengue NS5 RdRp Library

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