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DocumentationIdentifier: MM241574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241574 |
| SMILES |
CC(F)(C#CCC=O)C=O
|
| InChIKey |
DDULWXINEUWYHU-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139081
Similarity: 0.914
Similarity to MM139081
| Tanimoto metric | 0.914 |
|---|---|
| Cosine metric | 0.956 |
| Dice metric | 0.9551 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228550
Similarity: 0.8788
Similarity to MM228550
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9355 |
| Dice metric | 0.9355 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228557
Similarity: 0.8241
Similarity to MM228557
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9036 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
