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Ligand Properties of 24548686 compound from Dengue NS5 RdRp Library

Smile:
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])=NC2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])C1=C([H])N(N=C1C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]

Molecule Name:	24548686
Refractivity:	149.29
Resonant Structures:	200
topological PSA:	79.59
ASA hydrophobic:	684.14
ASA polar:	69.11
Accessible Surface Area:	753.25
cLogS:	-6.528
MW:	497.557
cLogP:	4.085
H-Acceptors:	7
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.379798575
Druglikeness:	5.5617
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.3895
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:	Non-inhibitor
Caco-2 Permeability B:	1.1228
Tetrahymena Pyriformis Toxicity B:	0.3612
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.3552
CYP450 2C19 Inhibitor:	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:	Non-substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 24548686 compound from Dengue NS5 RdRp Library

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