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DocumentationIdentifier: MM86508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86508 |
| SMILES |
C=CC=C(C=O)C(O)C#N
|
| InChIKey |
KXOLHNDTIMGNEL-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 |
Similar entries
MM86511
Similarity: 0.686
Similarity to MM86511
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8138 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175333
Similarity: 0.6846
Similarity to MM175333
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8127 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383620
Similarity: 0.6743
Similarity to MM383620
| Tanimoto metric | 0.6743 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8055 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
