P-24174979
- 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-24174979.sdf |
SMILES | P-24174979.smiles |
Standard InChI | P-24174979.inchi |
InChIKey | P-24174979.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-24174979 | InterBioScreen | Screening Compounds | 92 | unavailable |
Property | Value |
---|---|
Components | 2 |
Mass | 539.619 |
logP | 4.1085 |
H-bond acceptors | 10 |
H-bond donors | 3 |
Rotatable bonds | 13 |
PSA | 138.29 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 150.4683 |
Atoms | 76 |
Rings | 3 |
Heavy atoms | 39 |
Hydrogen atoms | 37 |
Heteroatoms | 10 |
N/O atoms | 10 |
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 |