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Ligand Properties of 57590479 compound from Dengue NS5 RdRp Library

Smile:
[H]N1C([H])=C(C(=O)C(=O)N2C([H])([H])C([H])([H])N(C3=C(N4C([H])([H])C5=C(C([H])=C([H])C([H])=C5[H])C([H])([H])C4([H])[H])C(=O)C3=O)C([H])([H])C2([H])[H])C2=C(F)C([H])=C([H])C([H])=C12

Molecule Name:	57590479
Refractivity:	133.41
Resonant Structures:	200
topological PSA:	93.79
ASA hydrophobic:	534.43
ASA polar:	122.70
Accessible Surface Area:	657.12
cLogS:	-3.486
MW:	486.502
cLogP:	1.4594
H-Acceptors:	8
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.675187736
Druglikeness:	3.0453
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4894
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:	Inhibitor
Caco-2 Permeability B:	0.5167
Tetrahymena Pyriformis Toxicity B:	0.6474
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	0.9916
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:	High 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:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 57590479 compound from Dengue NS5 RdRp Library

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