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DocumentationIdentifier: MM289073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289073 |
| SMILES |
CC(=O)CC#CC=CCO
|
| InChIKey |
SCOGFQYKIFSHFK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153960
Similarity: 0.8312
Similarity to MM153960
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289088
Similarity: 0.7711
Similarity to MM289088
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8707 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289072
Similarity: 0.7711
Similarity to MM289072
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8707 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
