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Ligand Properties of 370063 compound from Dengue NS5 RdRp Library

Smile:
[H]N(N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C(=O)C(\N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])=C(/[H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H]

Molecule Name:	370063
Refractivity:	135.14
Resonant Structures:	132
topological PSA:	133.47
ASA hydrophobic:	605.50
ASA polar:	161.75
Accessible Surface Area:	767.25
cLogS:	-3.936
MW:	492.555
cLogP:	2.3574
H-Acceptors:	9
H-Donors:	4
Ro5 violations:	0
DrugScore:	0.144138727
Druglikeness:	-1.1076
Irritant:	none
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4561
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:	0.6902
Tetrahymena Pyriformis Toxicity B:	0.4195
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.4736
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 370063 compound from Dengue NS5 RdRp Library

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