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Ligand Properties of 71815377 compound from Dengue NS5 RdRp Library

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[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C2=C(\C(=N\N([H])C3=C(N([H])N(C3=O)C3=C([H])C(=C(C([H])=C3[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=O)C([H])([H])C([H])([H])C2([H])[H]

Molecule Name:	71815377
Refractivity:	161.12
Resonant Structures:	194
topological PSA:	111.10
ASA hydrophobic:	601.83
ASA polar:	149.71
Accessible Surface Area:	751.54
cLogS:	-5.337
MW:	482.538
cLogP:	2.9701
H-Acceptors:	8
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.29373795
Druglikeness:	2.1012
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4981
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:	Inhibitor
Caco-2 Permeability B:	0.2465
Tetrahymena Pyriformis Toxicity B:	0.5666
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	0.9676
CYP450 2C19 Inhibitor:	Non-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:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 71815377 compound from Dengue NS5 RdRp Library

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