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DocumentationIdentifier: MM371268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371268 |
| SMILES |
C#CC(=O)OCC#CC=O
|
| InChIKey |
YNVMOFIPFKSGTB-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167733
Similarity: 0.8816
Similarity to MM167733
| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9371 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153513
Similarity: 0.8553
Similarity to MM153513
| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279694
Similarity: 0.8415
Similarity to MM279694
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9139 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
