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DocumentationIdentifier: MM297472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297472 |
| SMILES |
C=C(C)C(O)C(=O)CCC
|
| InChIKey |
BJRHJPJAGLESOR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47375
Similarity: 0.8456
Similarity to MM47375
| Tanimoto metric | 0.8456 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9163 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74415
Similarity: 0.6725
Similarity to MM74415
| Tanimoto metric | 0.6725 |
|---|---|
| Cosine metric | 0.8052 |
| Dice metric | 0.8042 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350503
Similarity: 0.6571
Similarity to MM350503
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7946 |
| Dice metric | 0.7931 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
