MCULE-9442224144
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 116 USD | 90 | 10 working days | Get Quote |
5 mg | 116 USD | 90 | 10 working days | Get Quote |
10 mg | 116 USD | 90 | 10 working days | Get Quote |
- 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.
Name | File |
---|---|
SDF | MCULE-9442224144.sdf |
SMILES | MCULE-9442224144.smiles |
Standard InChI | MCULE-9442224144.inchi |
InChIKey | MCULE-9442224144.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-31129941 | LaboTest | Screening Collection | 90 | As is | 250 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 357.360 |
logP | 2.2651 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 98.25 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 96.2114 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 19 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |