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DocumentationIdentifier: MM318674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318674 |
| SMILES |
C=C(CC)CCC(=C)OC
|
| InChIKey |
XMGWGLOKTLDXDJ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144842
Similarity: 0.8144
Similarity to MM144842
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319406
Similarity: 0.681
Similarity to MM319406
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8103 |
| Dice metric | 0.8103 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318678
Similarity: 0.6752
Similarity to MM318678
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8061 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
