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DocumentationIdentifier: MM362403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362403 |
| SMILES |
C=CC(O)C(N)CCCC
|
| InChIKey |
ALSGLWLTFKVGHU-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172066
Similarity: 0.8559
Similarity to MM172066
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362404
Similarity: 0.7698
Similarity to MM362404
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296828
Similarity: 0.6966
Similarity to MM296828
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8211 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
