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DocumentationIdentifier: MM90536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90536 |
| SMILES |
C#CC(CCCN)OC=O
|
| InChIKey |
DBGUDBGHKKLQAV-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93233
Similarity: 0.6552
Similarity to MM93233
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7917 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66821
Similarity: 0.6143
Similarity to MM66821
| Tanimoto metric | 0.6143 |
|---|---|
| Cosine metric | 0.7613 |
| Dice metric | 0.7611 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116146
Similarity: 0.6
Similarity to MM116146
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
