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Ligand Properties of 24672975 compound from Dengue NS5 RdRp Library

Smile:
[H]N1N=C(C([H])=C([H])C1=O)N1N=C([H])C(C(=O)N2C([H])([H])C([H])([H])N(C([H])([H])C2([H])[H])S(=O)(=O)C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])=C1C([H])([H])[H]

Molecule Name:	24672975
Refractivity:	138.42
Resonant Structures:	168
topological PSA:	116.97
ASA hydrophobic:	515.79
ASA polar:	150.18
Accessible Surface Area:	665.97
cLogS:	-3.406
MW:	478.532
cLogP:	1.9075
H-Acceptors:	10
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.700273836
Druglikeness:	7.488
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4082
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:	0.6131
Tetrahymena Pyriformis Toxicity B:	0.4787
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.6623
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	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:	Non-inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 24672975 compound from Dengue NS5 RdRp Library

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