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Ligand Properties of 362441 compound from Dengue NS5 RdRp Library

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[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1[C@@]1([H])C(=O)N(C(=O)[C@@]1([H])[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H])C1=C([H])C([H])=C([H])C([H])=C1[H]

Molecule Name:	362441
Refractivity:	111.45
Resonant Structures:	173
topological PSA:	53.17
ASA hydrophobic:	515.22
ASA polar:	40.23
Accessible Surface Area:	555.45
cLogS:	-5.877
MW:	384.478
cLogP:	4.8235
H-Acceptors:	4
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.164814728
Druglikeness:	0.11159
Irritant:	none
Mutagenic:	none
Reproductive Effective:	low
Tumorigenic:	high
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.1252
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:	Non-inhibitor
Caco-2 Permeability B:	1.3686
Tetrahymena Pyriformis Toxicity B:	0.5636
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	0.7818
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:	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:	Inhibitor
P-glycoprotein Substrate:	Non-substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 362441 compound from Dengue NS5 RdRp Library

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