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DocumentationIdentifier: MM393708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393708 |
| SMILES |
C#CC(COC=C)C(C)=O
|
| InChIKey |
IPFIYGFJOPEQQN-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15892
Similarity: 0.8279
Similarity to MM15892
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162286
Similarity: 0.6803
Similarity to MM162286
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8098 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199365
Similarity: 0.6393
Similarity to MM199365
| Tanimoto metric | 0.6393 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.78 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
