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DocumentationIdentifier: MM270795
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270795 |
| SMILES |
C#CC(C)=C(C)NC(C)=O
|
| InChIKey |
BNEIHCOQILFZIF-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51182
Similarity: 0.7266
Similarity to MM51182
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136137
Similarity: 0.6978
Similarity to MM136137
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.822 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134421
Similarity: 0.6906
Similarity to MM134421
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.817 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
