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DocumentationIdentifier: MM362404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362404 |
| SMILES |
C=CC(O)C(N)CCCN
|
| InChIKey |
IXHXVBKGBSEJSV-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
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: 0.8482
Similarity to MM172066
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362403
Similarity: 0.7698
Similarity to MM362403
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73837
Similarity: 0.6884
Similarity to MM73837
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8155 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
