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DocumentationIdentifier: MM295352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295352 |
| SMILES |
CC#CC(=O)N(C)CC=O
|
| InChIKey |
WPZOWOGPSTXUIL-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172863
Similarity: 0.8
Similarity to MM172863
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94598
Similarity: 0.7302
Similarity to MM94598
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.844 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413662
Similarity: 0.7236
Similarity to MM413662
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8396 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
