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Ligand Properties of 355906 compound from Dengue NS5 RdRp Library

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[H]OC(=O)C1=C([H])C2=C(N([H])C(=O)N(C3=C([H])C([H])=C([H])C([H])=C3[H])C2=O)N(C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]

Molecule Name:	355906
Refractivity:	125.65
Resonant Structures:	135
topological PSA:	124.09
ASA hydrophobic:	473.63
ASA polar:	155.95
Accessible Surface Area:	629.58
cLogS:	-4.799
MW:	453.474
cLogP:	2.2936
H-Acceptors:	9
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.411409516
Druglikeness:	-0.66446
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Rat Acute Toxicity:	2.4262
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2-
P-glycoprotein Inhibitor2:	Non-inhibitor
CYP450 2C9 Substrate:	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:	0.5989
Tetrahymena Pyriformis Toxicity B:	0.508
CYP450 3A4 Substrate:	Non-substrate
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
Fish Toxicity B:	1.505
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:	Non-inhibitor
P-glycoprotein Substrate:	Substrate
Human Intestinal Absorption:	HIA+

Ligand Properties of 355906 compound from Dengue NS5 RdRp Library

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