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Ligand Properties of 5330694 compound from Dengue NS5 RdRp Library

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[H]OC([H])([H])[C@@]1([H])C([H])([H])N2C3=C(C4=C2C(=C([H])C([H])=C4[H])C1([H])[H])C1=C(C(=O)N([H])C1=O)C1=C3N([H])C2=C([H])C(=C([H])C([H])=C12)C(F)(F)F

Molecule Name:	5330694
Refractivity:	119.23
Resonant Structures:	200
topological PSA:	87.12
ASA hydrophobic:	349.56
ASA polar:	211.35
Accessible Surface Area:	560.91
cLogS:	-6.457
MW:	463.414
cLogP:	4.9902
H-Acceptors:	6
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.086328181
Druglikeness:	-6.3162
Irritant:	none
Mutagenic:	high
Reproductive Effective:	low
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6622
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:	0.7051
Tetrahymena Pyriformis Toxicity B:	0.4086
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.5501
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 5330694 compound from Dengue NS5 RdRp Library

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