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DocumentationIdentifier: MM238509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238509 |
| SMILES |
C=CC=COCCC(=O)O
|
| InChIKey |
MHKWVBJATGMEOO-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242543
Similarity: 0.8831
Similarity to MM242543
| Tanimoto metric | 0.8831 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229559
Similarity: 0.7816
Similarity to MM229559
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8774 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM396507
Similarity: 0.7473
Similarity to MM396507
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8553 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
