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DocumentationIdentifier: MM61157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61157 |
| SMILES |
C=C(OC=O)C(C)(O)C#N
|
| InChIKey |
CYQVHWBJXBTLNW-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173442
Similarity: 0.6101
Similarity to MM173442
| Tanimoto metric | 0.6101 |
|---|---|
| Cosine metric | 0.7811 |
| Dice metric | 0.7578 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242295
Similarity: 0.5767
Similarity to MM242295
| Tanimoto metric | 0.5767 |
|---|---|
| Cosine metric | 0.7332 |
| Dice metric | 0.7315 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95510
Similarity: 0.5468
Similarity to MM95510
| Tanimoto metric | 0.5468 |
|---|---|
| Cosine metric | 0.7071 |
| Dice metric | 0.707 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
