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Ligand Properties of 21598341 compound from Dengue NS5 RdRp Library

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[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1[C@@]1([H])N(C([H])([H])C2([H])[H])C([H])([H])[C@@]2([H])[C@@]([H])(C(=C([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C([H])C([H])=C([H])C([H])=C45)[C@]23C([H])([H])[H])C(=O)OC([H])([H])[H])C1([H])[H]

Molecule Name:	21598341
Refractivity:	145.59
Resonant Structures:	200
topological PSA:	64.36
ASA hydrophobic:	635.21
ASA polar:	50.77
Accessible Surface Area:	685.98
cLogS:	-4.671
MW:	492.621
cLogP:	4.3003
H-Acceptors:	6
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.487505066
Druglikeness:	2.7957
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.8784
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:	Inhibitor
Caco-2 Permeability B:	0.8152
Tetrahymena Pyriformis Toxicity B:	0.5174
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.0823
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	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 21598341 compound from Dengue NS5 RdRp Library

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