P-892289027
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 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 | P-892289027.sdf |
SMILES | P-892289027.smiles |
Standard InChI | P-892289027.inchi |
InChIKey | P-892289027.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892289027 | TargetMol | In Stock BB | 95 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 274.379 |
logP | 4.8338 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 42.52 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 78.244 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |