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DocumentationIdentifier: MM304356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304356 |
| SMILES |
CCC=C(CC=O)OC=O
|
| InChIKey |
FJXJVKGBKRLBCK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178626
Similarity: 0.8142
Similarity to MM178626
| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75323
Similarity: 0.6788
Similarity to MM75323
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8087 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385673
Similarity: 0.6397
Similarity to MM385673
| Tanimoto metric | 0.6397 |
|---|---|
| Cosine metric | 0.7803 |
| Dice metric | 0.7803 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
