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DocumentationIdentifier: MM51892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51892 |
| SMILES |
C#CC=C(CO)OC=O
|
| InChIKey |
MOGJNRGNHQXYEI-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38025
Similarity: 0.734
Similarity to MM38025
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273775
Similarity: 0.7068
Similarity to MM273775
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8282 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107934
Similarity: 0.7021
Similarity to MM107934
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
