Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »

MCULE-4678406873-0

Structure Show compound

In order to add this molecule to a collection you have to create an account. Sign up for free

1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
Property calculator Create a physicochemical property profile for the compound in a second.
Similarity search Find analogs by similarity search.
Substructure search Find analogs by substructure search.

mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-675529406	Innovapharm	Virtual Screening Compounds	90	As is	by synthesis
P-675529543	Innovapharm	Virtual Screening Compounds	90	Main component as a main component	by synthesis
P-675529660	Innovapharm	Virtual Screening Compounds	90	Main component as a main component	by synthesis

Property	Value
Components	2
Mass	219.235
logP	0.7899
H-bond acceptors	5
H-bond donors	0
Rotatable bonds	2
PSA	85.95
RO5 violations	0
RO3 violations	2
Refractivity	45.247
Atoms	20
Rings	1
Heavy atoms	14
Hydrogen atoms	6
Heteroatoms	6
N/O atoms	5
Inorganic atoms	1
Halogen atoms	0
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0