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DocumentationIdentifier: MM347442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347442 |
| SMILES |
CC(=O)OC=C(C#N)C#N
|
| InChIKey |
QLSLSXPKVWRSHZ-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55805
Similarity: 0.7234
Similarity to MM55805
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347440
Similarity: 0.6992
Similarity to MM347440
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.823 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347269
Similarity: 0.6992
Similarity to MM347269
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.823 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
