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Ligand Properties of 364447 compound from Dengue NS5 RdRp Library

Smile:
[H]N([H])C(=NS(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])N3C(=O)C4=C([H])C([H])=C([H])C([H])=C4N=C23)C([H])=C1[H])N([H])[H]

Molecule Name:	364447
Refractivity:	117.82
Resonant Structures:	110
topological PSA:	160.31
ASA hydrophobic:	381.52
ASA polar:	214.76
Accessible Surface Area:	596.28
cLogS:	-3.697
MW:	436.451
cLogP:	0.0959
H-Acceptors:	10
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.74800939
Druglikeness:	6.9913
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	Low FHMT
Rat Acute Toxicity:	2.1785
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:	0.1951
Tetrahymena Pyriformis Toxicity B:	0.4019
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.8979
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:	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 364447 compound from Dengue NS5 RdRp Library

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