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DocumentationIdentifier: MM167080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167080 |
| SMILES |
C#CC(=C)COCC=C
|
| InChIKey |
XFCDTLCBACRWDO-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113421
Similarity: 0.8939
Similarity to MM113421
| Tanimoto metric | 0.8939 |
|---|---|
| Cosine metric | 0.9455 |
| Dice metric | 0.944 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366113
Similarity: 0.875
Similarity to MM366113
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9333 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167039
Similarity: 0.8472
Similarity to MM167039
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9173 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
