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Ligand Properties of 58847008 compound from Dengue NS5 RdRp Library

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[H]N1C(=O)N([H])C(=O)[C@]2(C1=O)C([H])([H])C1=C(C([H])=C([H])C(=C1[H])N1C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C13)N1C([H])([H])[C@]([H])(O[C@@]([H])(C([H])([H])[H])[C@]21[H])C([H])([H])[H]

Molecule Name:	58847008
Refractivity:	131.35
Resonant Structures:	200
topological PSA:	92.67
ASA hydrophobic:	497.81
ASA polar:	95.32
Accessible Surface Area:	593.13
cLogS:	-7.079
MW:	444.49
cLogP:	1.836
H-Acceptors:	8
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.097612648
Druglikeness:	8.5555
Irritant:	high
Mutagenic:	high
Reproductive Effective:	high
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6294
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:	0.8075
Tetrahymena Pyriformis Toxicity B:	0.5257
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.4781
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:	Non-substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 58847008 compound from Dengue NS5 RdRp Library

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