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DocumentationIdentifier: MM368834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368834 |
| SMILES |
C=CC(=C)C#CC=CC=O
|
| InChIKey |
NCTVMTSRSOWGHX-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170826
Similarity: 0.7949
Similarity to MM170826
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154737
Similarity: 0.7821
Similarity to MM154737
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368802
Similarity: 0.7381
Similarity to MM368802
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8493 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
