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DocumentationIdentifier: MM89445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89445 |
| SMILES |
COCC(C#CC=O)OC
|
| InChIKey |
VSOYNKCHBMDCRL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55432
Similarity: 0.8173
Similarity to MM55432
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178352
Similarity: 0.7788
Similarity to MM178352
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379567
Similarity: 0.7043
Similarity to MM379567
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8265 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
