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DocumentationIdentifier: MM289782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289782 |
| SMILES |
CC#CC#CC=CC(C)=O
|
| InChIKey |
NONCIQZRRDPOCZ-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
MM154534
Similarity: 0.9296
Similarity to MM154534
| Tanimoto metric | 0.9296 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9635 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367047
Similarity: 0.7857
Similarity to MM367047
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.88 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367079
Similarity: 0.7765
Similarity to MM367079
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8742 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
