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DocumentationIdentifier: MM368044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368044 |
| SMILES |
C=CCCC#CC(=O)C=C
|
| InChIKey |
QOERJMWQYALFSN-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170683
Similarity: 0.9189
Similarity to MM170683
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368078
Similarity: 0.8293
Similarity to MM368078
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9067 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368013
Similarity: 0.8293
Similarity to MM368013
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9067 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
