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DocumentationIdentifier: MM273945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273945 |
| SMILES |
C#CC=C(C#C)NC(C)=O
|
| InChIKey |
QUGGASKELKISBT-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150588
Similarity: 0.8268
Similarity to MM150588
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136137
Similarity: 0.7638
Similarity to MM136137
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334650
Similarity: 0.7315
Similarity to MM334650
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.845 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
