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Ligand Properties of 358092 compound from Dengue NS5 RdRp Library

Smile:
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C(N=C12)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]

Molecule Name:	358092
Refractivity:	121.87
Resonant Structures:	77
topological PSA:	45.23
ASA hydrophobic:	682.66
ASA polar:	40.51
Accessible Surface Area:	723.17
cLogS:	-5.614
MW:	395.505
cLogP:	4.5236
H-Acceptors:	4
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.17368986
Druglikeness:	4.3593
Irritant:	none
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.5912
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:	1.2536
Tetrahymena Pyriformis Toxicity B:	0.4002
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.4208
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:	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 358092 compound from Dengue NS5 RdRp Library

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