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DocumentationIdentifier: MM304276
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304276 |
| SMILES |
C=CC=CCC(C)C(=O)O
|
| InChIKey |
PSWFXFAJXLQWAI-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162849
Similarity: 0.875
Similarity to MM162849
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251632
Similarity: 0.785
Similarity to MM251632
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8796 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255911
Similarity: 0.7636
Similarity to MM255911
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.866 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
