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DocumentationIdentifier: MM406370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406370 |
| SMILES |
C#CC#CC=C(C#C)C=O
|
| InChIKey |
GTAOEEUXGQLGIR-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202132
Similarity: 0.8621
Similarity to MM202132
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406360
Similarity: 0.7938
Similarity to MM406360
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406356
Similarity: 0.7813
Similarity to MM406356
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8772 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
