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DocumentationIdentifier: MM89479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89479 |
| SMILES |
O=CC#CC(CO)OC=O
|
| InChIKey |
UVWMCNUUOXXPPS-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51428
Similarity: 0.8131
Similarity to MM51428
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379746
Similarity: 0.719
Similarity to MM379746
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8365 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379857
Similarity: 0.696
Similarity to MM379857
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8208 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
