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Ligand Properties of 5330687 compound from Dengue NS5 RdRp Library

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[H]N1C(=O)C2=C(C1=O)C1=C(N3C4=C1C([H])=C([H])C([H])=C4C([H])([H])C([H])([H])C3([H])[H])C1=C2C2=C([H])C([H])=C(C([H])=C2N1[H])C([H])([H])N1C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H]

Molecule Name:	5330687
Refractivity:	141.11
Resonant Structures:	200
topological PSA:	82.16
ASA hydrophobic:	535.55
ASA polar:	92.17
Accessible Surface Area:	627.72
cLogS:	-5.741
MW:	477.566
cLogP:	4.5897
H-Acceptors:	7
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.409533841
Druglikeness:	3.641
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.3185
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:	0.4992
Tetrahymena Pyriformis Toxicity B:	0.2451
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.6206
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Inhibitor
CYP450 1A2 Inhibitor:	Non-inhibitor
CYP450 2D6 Substrate:	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:	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 5330687 compound from Dengue NS5 RdRp Library

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