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DocumentationIdentifier: MM282891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282891 |
| SMILES |
C=CCC#CC(=O)CC=C
|
| InChIKey |
VPYAZDXVUVJEFR-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
MM158554
Similarity: 0.9103
Similarity to MM158554
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170653
Similarity: 0.859
Similarity to MM170653
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282839
Similarity: 0.8452
Similarity to MM282839
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9161 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
