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DocumentationIdentifier: MM87111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87111 |
| SMILES |
COCC(CO)=C(C)OC
|
| InChIKey |
SJTVGDMOCPAANK-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175787
Similarity: 0.8411
Similarity to MM175787
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54051
Similarity: 0.757
Similarity to MM54051
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112405
Similarity: 0.6542
Similarity to MM112405
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
