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Ligand Properties of 9804722 compound from Dengue NS5 RdRp Library

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[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C2=C(C([H])=C1[H])N1C3=C2C2=C(C(=O)N([H])C2([H])[H])C2=C3[C@]([H])(C3=C2C([H])=C([H])C([H])=C3[H])[C@@]2([H])O[C@]1([H])C([H])([H])C2([H])[H]

Molecule Name:	9804722
Refractivity:	140.79
Resonant Structures:	109
topological PSA:	69.28
ASA hydrophobic:	533.82
ASA polar:	65.67
Accessible Surface Area:	599.49
cLogS:	-9.605
MW:	469.543
cLogP:	4.838
H-Acceptors:	5
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.066353514
Druglikeness:	1.8359
Irritant:	low
Mutagenic:	high
Reproductive Effective:	low
Tumorigenic:	high
Fish Toxicity:	Low FHMT
Rat Acute Toxicity:	2.5368
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:	1.1465
Tetrahymena Pyriformis Toxicity B:	0.1712
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.3424
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	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:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Tetrahymena Pyriformis Toxicity:	Low TPT
P-glycoprotein Inhibitor:	Non-inhibitor
P-glycoprotein Substrate:	Non-substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 9804722 compound from Dengue NS5 RdRp Library

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