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DocumentationIdentifier: MM385371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385371 |
| SMILES |
CC(C=O)=C(C#N)OC=O
|
| InChIKey |
MPRMVFACPROHKX-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51177
Similarity: 0.7153
Similarity to MM51177
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.834 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52005
Similarity: 0.6934
Similarity to MM52005
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 125.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87283
Similarity: 0.568
Similarity to MM87283
| Tanimoto metric | 0.568 |
|---|---|
| Cosine metric | 0.7249 |
| Dice metric | 0.7245 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
