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Ligand Properties of 76724063 compound from Dengue NS5 RdRp Library

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[H]\C(=C1\N=C([H])C2=C1C1=C([H])C([H])=C([H])N=C1C1=NC([H])=C([H])C([H])=C21)[C@@]1([H])N=C([H])C2=C1C1=C([H])C([H])=C([H])N=C1C1=NC([H])=C([H])C([H])=C21

Molecule Name:	76724063
Refractivity:	135.61
Resonant Structures:	200
topological PSA:	76.28
ASA hydrophobic:	537.28
ASA polar:	68.06
Accessible Surface Area:	605.34
cLogS:	-6.934
MW:	448.488
cLogP:	4.1834
H-Acceptors:	6
H-Donors:	0
Ro5 violations:	0
DrugScore:	0.345849001
Druglikeness:	1.1442
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.479
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:	0.9749
Tetrahymena Pyriformis Toxicity B:	1.3798
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	0.3942
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	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 76724063 compound from Dengue NS5 RdRp Library

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