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DocumentationIdentifier: MM358541
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358541 |
| SMILES |
C#CC#CC(O)COC=C
|
| InChIKey |
UVYMGFPNRIBYCM-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157519
Similarity: 0.828
Similarity to MM157519
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46898
Similarity: 0.8172
Similarity to MM46898
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358435
Similarity: 0.7647
Similarity to MM358435
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8667 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
