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DocumentationIdentifier: MM330712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330712 |
| SMILES |
C#CC(C#N)OC(=O)CC
|
| InChIKey |
OWNVLRKBLRDFHO-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150200
Similarity: 0.7717
Similarity to MM150200
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142482
Similarity: 0.7087
Similarity to MM142482
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330784
Similarity: 0.6577
Similarity to MM330784
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7935 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
