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Ligand Properties of 132837 compound from Dengue NS5 RdRp Library

Smile:
[H]N(C(=O)C([H])([H])[H])[C@]([H])(C(=O)OC([H])([H])C1=C([H])C(=C([H])C(=C1[H])C(F)(F)F)C(F)(F)F)C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12

Molecule Name:	132837
Refractivity:	106.98
Resonant Structures:	147
topological PSA:	71.19
ASA hydrophobic:	385.67
ASA polar:	276.43
Accessible Surface Area:	662.09
cLogS:	-5.271
MW:	472.384
cLogP:	4.1678
H-Acceptors:	5
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.240409284
Druglikeness:	-8.9132
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.505
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:	0.4964
Tetrahymena Pyriformis Toxicity B:	0.5133
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.1608
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	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 132837 compound from Dengue NS5 RdRp Library

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