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Ligand Properties of 65993 compound from Dengue NS5 RdRp Library

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[H]N(C(=O)C1=C([H])C2=C([H])C([H])=C([H])C3=C2N1C([H])([H])C([H])([H])C3([H])[H])[C@@]1([H])N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C(C([H])=C([H])C([H])=C2[H])N(C1=O)C([H])([H])[H]

Molecule Name:	65993
Refractivity:	131.75
Resonant Structures:	200
topological PSA:	66.70
ASA hydrophobic:	609.01
ASA polar:	44.94
Accessible Surface Area:	653.95
cLogS:	-5.73
MW:	448.525
cLogP:	4.9217
H-Acceptors:	6
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.414325519
Druglikeness:	5.4066
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.6119
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:	0.7536
Tetrahymena Pyriformis Toxicity B:	0.4339
CYP450 3A4 Substrate:	Substrate
AMES Toxicity:	AMES toxic
CYP450 3A4 Inhibitor:	Inhibitor
Fish Toxicity B:	1.4654
CYP450 2C19 Inhibitor:	Inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	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:	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 65993 compound from Dengue NS5 RdRp Library

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