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Ligand Properties of 57955382 compound from Dengue NS5 RdRp Library

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[H]N1C(=O)N(C([H])([H])[H])[C@]2(C1=O)C([H])([H])C1=C(C([H])=C3C([H])=C([H])C(=NC3=C1[H])C([H])([H])N1C3=C4C(N([H])C(=O)C([H])([H])[C@]4(C([H])([H])[H])C1([H])[H])=C(C([H])=C3[H])C([H])([H])[H])C2([H])[H]

Molecule Name:	57955382
Refractivity:	136.48
Resonant Structures:	143
topological PSA:	94.64
ASA hydrophobic:	548.55
ASA polar:	111.76
Accessible Surface Area:	660.31
cLogS:	-5.664
MW:	481.554
cLogP:	2.2582
H-Acceptors:	8
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.181536125
Druglikeness:	5.6748
Irritant:	none
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.9265
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:	1.2007
Tetrahymena Pyriformis Toxicity B:	0.4772
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.636
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:	Inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 57955382 compound from Dengue NS5 RdRp Library

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