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DocumentationIdentifier: MM84790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84790 |
| SMILES |
C#CC(=O)C(F)CCCO
|
| InChIKey |
KFVKODPGNGTJEV-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268807
Similarity: 0.6438
Similarity to MM268807
| Tanimoto metric | 0.6438 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7833 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301408
Similarity: 0.6176
Similarity to MM301408
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7662 |
| Dice metric | 0.7636 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329888
Similarity: 0.563
Similarity to MM329888
| Tanimoto metric | 0.563 |
|---|---|
| Cosine metric | 0.7504 |
| Dice metric | 0.7204 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
