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DocumentationIdentifier: MM90494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90494 |
| SMILES |
N#CC#CC(=O)C(O)CF
|
| InChIKey |
WWRKAKYOQMRSLS-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358755
Similarity: 0.74
Similarity to MM358755
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8506 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90493
Similarity: 0.74
Similarity to MM90493
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8506 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163694
Similarity: 0.7333
Similarity to MM163694
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
