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DocumentationIdentifier: MM280883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280883 |
| SMILES |
C=CC=CCC(=O)C#CC
|
| InChIKey |
WITIDQJTKHPYPI-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
MM157601
Similarity: 0.8444
Similarity to MM157601
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280850
Similarity: 0.7755
Similarity to MM280850
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8736 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359144
Similarity: 0.7451
Similarity to MM359144
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8539 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
