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DocumentationIdentifier: MM288997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288997 |
| SMILES |
C=CC#CC=COC(C)=O
|
| InChIKey |
XOTUXACZWMRABD-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289011
Similarity: 0.8372
Similarity to MM289011
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9114 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57348
Similarity: 0.8
Similarity to MM57348
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.8889 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288998
Similarity: 0.7912
Similarity to MM288998
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8834 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
