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Ligand Properties of 60138427 compound from Dengue NS5 RdRp Library

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[H]N1C2=C([H])C(=C1\C([H])=C1/N=C3C([H])=C4N=C(\C([H])=C5/N([H])\C(=C2\[H])C(=C5[H])C([H])([H])[H])C(=C4C([H])([H])C([H])([H])C(=O)OC(=O)C([H])([H])C([H])([H])C3=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

Molecule Name:	60138427
Refractivity:	141.23
Resonant Structures:	200
topological PSA:	100.73
ASA hydrophobic:	638.12
ASA polar:	77.02
Accessible Surface Area:	715.15
cLogS:	-5.816
MW:	492.577
cLogP:	4.6442
H-Acceptors:	7
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.118446604
Druglikeness:	-15.034
Irritant:	high
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.5191
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:	0.4667
Tetrahymena Pyriformis Toxicity B:	0.4329
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	0.9465
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:	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:	Non-inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 60138427 compound from Dengue NS5 RdRp Library

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