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DocumentationIdentifier: MM371270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371270 |
| SMILES |
C#CC(=O)OCC#CC#N
|
| InChIKey |
CWORJDKPWKMFFP-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153514
Similarity: 0.8537
Similarity to MM153514
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167733
Similarity: 0.8171
Similarity to MM167733
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84041
Similarity: 0.8021
Similarity to MM84041
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8902 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
