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DocumentationIdentifier: MM306257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306257 |
| SMILES |
C#CC=C(OC=O)C(C)O
|
| InChIKey |
VCWWQOUVBIVVNR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75922
Similarity: 0.6457
Similarity to MM75922
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7847 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75969
Similarity: 0.6425
Similarity to MM75969
| Tanimoto metric | 0.6425 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7823 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51892
Similarity: 0.6395
Similarity to MM51892
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
