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DocumentationIdentifier: MM173442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173442 |
| SMILES |
C=C(OC=O)C(C)C#N
|
| InChIKey |
MTLGYSRQYQUFFU-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269455
Similarity: 0.7348
Similarity to MM269455
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8472 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411443
Similarity: 0.7029
Similarity to MM411443
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107455
Similarity: 0.701
Similarity to MM107455
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
