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DocumentationIdentifier: MM383718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383718 |
| SMILES |
C=CC(O)C(C#N)=CC=O
|
| InChIKey |
ZSFSCNKCKLMQRU-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM52689
Similarity: 0.7569
Similarity to MM52689
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8617 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175331
Similarity: 0.6597
Similarity to MM175331
| Tanimoto metric | 0.6597 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.795 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383618
Similarity: 0.6364
Similarity to MM383618
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7778 |
| Dice metric | 0.7778 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
