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DocumentationIdentifier: MM66894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66894 |
| SMILES |
COCC(C#N)OC(C)=O
|
| InChIKey |
ZGMFLJKKVXHADJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150054
Similarity: 0.8087
Similarity to MM150054
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329453
Similarity: 0.6884
Similarity to MM329453
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329455
Similarity: 0.6788
Similarity to MM329455
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8087 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
