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DocumentationIdentifier: MM367892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367892 |
| SMILES |
C=CCCC#CC(=O)CC
|
| InChIKey |
SMFPTXFUGDBJHF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282839
Similarity: 0.8861
Similarity to MM282839
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9396 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154606
Similarity: 0.8333
Similarity to MM154606
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158554
Similarity: 0.8101
Similarity to MM158554
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8951 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+609 more
