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DocumentationIdentifier: MM237712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237712 |
| SMILES |
CC(=O)CC(C)C#CC=O
|
| InChIKey |
WWFNLDQFZLDHMA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135908
Similarity: 0.8636
Similarity to MM135908
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60092
Similarity: 0.717
Similarity to MM60092
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8352 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252737
Similarity: 0.7143
Similarity to MM252737
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8333 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
