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DocumentationIdentifier: MM175920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175920 |
| SMILES |
CC(C#N)=C(C)OC=O
|
| InChIKey |
VYWQWQCRUWTRJA-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM423613
Similarity: 0.9009
Similarity to MM423613
| Tanimoto metric | 0.9009 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87283
Similarity: 0.7813
Similarity to MM87283
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385491
Similarity: 0.7092
Similarity to MM385491
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
