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Documentation2-methylidenebutanedial
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02531 |
| SMILES |
C=C(C=O)CC=O
|
| InChIKey |
CRVPWZYRPKYRCI-UHFFFAOYSA-N
|
| MW [Da] |
98.1
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
23448613
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24713
Similarity: 0.7895
Similarity to MM24713
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 84.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24033
Similarity: 0.7368
Similarity to MM24033
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 84.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116546
Similarity: 0.6552
Similarity to MM116546
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.7917 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
