VirtualRat

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Property Value
Formula
Molecular Weight
Total Polar Surface Area
logP
Lipinski Rule of 5
H-bond donors
H-bond acceptors
Molecular weight
logP
SMILES
Property Value Detail
Absorption
logBB
Absorption
logPS
Absorption
Caco-2 permeability
Absorption
P-gp inhibition
Absorption
P-gp substrate
Metabolism
CYP1A2 inhibition
CYP1A2 inhibition (Rule 1)
CYP1A2 inhibition (Rule 2)
CYP1A2 inhibition (Rule 3)
CYP1A2 inhibition (Rule 4)
CYP1A2 inhibition (Rule 5)
Metabolism
CYP2C9 inhibition
CYP2C9 inhibition (Rule 1)
CYP2C9 inhibition (Rule 2)
CYP2C9 inhibition (Rule 3)
CYP2C9 inhibition (Rule 4)
CYP2C9 inhibition (Rule 5)
Metabolism
CYP2C19 inhibition
CYP2C19 inhibition (Rule 1)
CYP2C19 inhibition (Rule 2)
CYP2C19 inhibition (Rule 3)
CYP2C19 inhibition (Rule 4)
CYP2C19 inhibition (Rule 5)
Metabolism
CYP2D6 inhibition
CYP2D6 inhibition (Rule 1)
CYP2D6 inhibition (Rule 2)
CYP2D6 inhibition (Rule 3)
CYP2D6 inhibition (Rule 4)
CYP2D6 inhibition (Rule 5)
Metabolism
CYP3A4 inhibition
CYP3A4 inhibition (Rule 1)
CYP3A4 inhibition (Rule 2)
CYP3A4 inhibition (Rule 3)
CYP3A4 inhibition (Rule 4)
CYP3A4 inhibition (Rule 5)
Toxicity
hERG inhibition
Toxicity
Cytotoxicity
Toxicity
Mutagenicity