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Ligand Properties of 25209780 compound from Dengue NS5 RdRp Library

Smile:
[H]C([H])([H])OC([H])([H])[C@@]12C([H])([H])N(C([H])([H])C([H])([H])[H])[C@@]3([H])[C@]45OC([H])([H])O[C@]44C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@]6([H])C([H])([H])[C@@]([H])([C@@]4([H])[C@]6([H])OC(=O)C([H])([H])[H])[C@]3([C@@]1([H])C5([H])[H])[C@]([H])(OC([H])([H])[H])C([H])([H])C2([H])[H]

Molecule Name:	25209780
Refractivity:	125.77
Resonant Structures:	3
topological PSA:	75.69
ASA hydrophobic:	610.32
ASA polar:	62.06
Accessible Surface Area:	672.39
cLogS:	-3.436
MW:	491.623
cLogP:	1.2933
H-Acceptors:	8
H-Donors:	0
Ro5 violations:	0
DrugScore:	0.673992141
Druglikeness:	3.1437
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	3.0291
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:	1.1112
Tetrahymena Pyriformis Toxicity B:	0.6108
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.1737
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:	Low CYP Inhibitory Promiscuity
Honey Bee Toxicity:	High 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 25209780 compound from Dengue NS5 RdRp Library

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