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DocumentationIdentifier: MM289011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289011 |
| SMILES |
C#CC#CC=COC(C)=O
|
| InChIKey |
UCXDTSAABBBJBX-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288997
Similarity: 0.8372
Similarity to MM288997
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9114 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57348
Similarity: 0.7849
Similarity to MM57348
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8798 |
| Dice metric | 0.8795 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288998
Similarity: 0.7579
Similarity to MM288998
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8623 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
