Molecule Name

contains

Refractivity

SMILES format

contains

Resonant Structures

TPSA

ASA hydrophobic

ASA polar

Accessible Surface Area

LogS

MW

cLogP

H-Acceptors

H-Donors

Ro5 violations

DrugScore

Druglikeness

Irritant

contains

Mutagenic

contains

Reproductive Effective

contains

Tumorigenic

contains

Fish Toxicity

contains

Fish Toxicity 2

contains

Rat Acute Toxicity

Acute Oral Toxicity

contains

Caco-2 Permeability

contains

Caco-2 Permeability 2

P-glycoprotein Substrate

contains

P-glycoprotein Inhibitor

contains

P-glycoprotein Inhibitor 2

contains

Human Ether-a-go-go-Related Gene Inhibition

contains

Human Ether-a-go-go-Related Gene Inhibition 2

contains

CYP450 2C9 Substrate

contains

Tetrahymena Pyriformis Toxicity

contains

Tetrahymena Pyriformis Toxicity 2

AMES Toxicity

contains

CYP450 3A4 Inhibitor

contains

CYP450 3A4 Substrate

contains

CYP450 2C19 Inhibitor

contains

CYP450 2C9 Inhibitor

contains

CYP450 2D6 Inhibitor

contains

CYP450 1A2 Inhibitor

contains

CYP450 2D6 Substrate

contains

Biodegradation

contains

Carcinogens

contains

Blood-Brain Barrier

contains

CYP Inhibitory Promiscuity

contains

Honey Bee Toxicity

contains

Renal Organic Cation Transporter

contains

Carcinogenicity (Three-class)

contains

Human Intestinal Absorption

contains

These data are only available for scientific research purposes.