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DocumentationIdentifier: MM378800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378800 |
| SMILES |
C#CC(=O)C(C=O)CCF
|
| InChIKey |
DOWKAUISAFGDDC-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172829
Similarity: 0.7586
Similarity to MM172829
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377954
Similarity: 0.748
Similarity to MM377954
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8558 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197414
Similarity: 0.7414
Similarity to MM197414
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
