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DocumentationIdentifier: MM404311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404311 |
| SMILES |
CC=COCC#CC(=O)O
|
| InChIKey |
GRUCREZCBGUXPH-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM396935
Similarity: 0.8481
Similarity to MM396935
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214415
Similarity: 0.7722
Similarity to MM214415
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367975
Similarity: 0.7363
Similarity to MM367975
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8481 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
