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Ligand Properties of 75237511 compound from Dengue NS5 RdRp Library

Smile:
[H]O[C@]([H])(C([H])([H])N1C([H])([H])C([H])([H])[C@]2(C3=C(N([H])C2([H])[H])C([H])=C(C([H])=C3[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N2[H])C([H])([H])C1([H])[H]

Molecule Name:	75237511
Refractivity:	146.61
Resonant Structures:	200
topological PSA:	71.60
ASA hydrophobic:	656.79
ASA polar:	74.90
Accessible Surface Area:	731.69
cLogS:	-4.806
MW:	486.658
cLogP:	3.7998
H-Acceptors:	6
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.526788946
Druglikeness:	6.7041
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	Low FHMT
Rat Acute Toxicity:	2.8769
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:	Inhibitor
Caco-2 Permeability B:	1.0045
Tetrahymena Pyriformis Toxicity B:	0.3257
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.4478
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	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:	Inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 75237511 compound from Dengue NS5 RdRp Library

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