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DocumentationIdentifier: MM50287
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50287 |
| SMILES |
C#CC=CC(N)C(=C)CO
|
| InChIKey |
QZEAYTASCYBPQR-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163338
Similarity: 0.7097
Similarity to MM163338
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294618
Similarity: 0.6471
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| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7858 |
| Dice metric | 0.7857 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293762
Similarity: 0.6449
Similarity to MM293762
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7841 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
