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DocumentationIdentifier: MM90593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90593 |
| SMILES |
C#CC(O)C(=O)C#CC#N
|
| InChIKey |
ZTIYITCLOWNIDQ-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50907
Similarity: 0.7937
Similarity to MM50907
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163694
Similarity: 0.7857
Similarity to MM163694
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295812
Similarity: 0.7266
Similarity to MM295812
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8417 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
