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DocumentationIdentifier: MM391523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM391523 |
| SMILES |
C#CC(C(=O)NC)=C(C)C
|
| InChIKey |
YRTFITWDLZKYLD-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198188
Similarity: 0.8278
Similarity to MM198188
| Tanimoto metric | 0.8278 |
|---|---|
| Cosine metric | 0.9098 |
| Dice metric | 0.9058 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87033
Similarity: 0.7427
Similarity to MM87033
| Tanimoto metric | 0.7427 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8523 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384620
Similarity: 0.7216
Similarity to MM384620
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8383 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
