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DocumentationIdentifier: MM448401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448401 |
| SMILES |
COCOCCC=CC=O
|
| InChIKey |
ZTDPLQPYEJNDFA-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213244
Similarity: 0.791
Similarity to MM213244
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448154
Similarity: 0.726
Similarity to MM448154
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.8413 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448156
Similarity: 0.7067
Similarity to MM448156
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.8281 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
