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DocumentationIdentifier: MM369412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369412 |
| SMILES |
C=CC(=O)C#CC#CCC
|
| InChIKey |
OWXUYBKYXLYSFB-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369444
Similarity: 0.9474
Similarity to MM369444
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.973 |
| Dice metric | 0.973 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170886
Similarity: 0.9459
Similarity to MM170886
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369466
Similarity: 0.8537
Similarity to MM369466
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9211 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
