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DocumentationIdentifier: MM357631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357631 |
| SMILES |
C=CC#CC(N)C(O)CN
|
| InChIKey |
WSPDPZZXBCICPQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174553
Similarity: 0.8065
Similarity to MM174553
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357409
Similarity: 0.7246
Similarity to MM357409
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8403 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294426
Similarity: 0.705
Similarity to MM294426
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.827 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
