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DocumentationIdentifier: MM285479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM285479 |
| SMILES |
CCOC(C)=CC#CC=O
|
| InChIKey |
IFSVFNUDGDUGQW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171655
Similarity: 0.8523
Similarity to MM171655
| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159739
Similarity: 0.8295
Similarity to MM159739
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292518
Similarity: 0.7624
Similarity to MM292518
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8652 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
