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DocumentationIdentifier: MM312137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312137 |
| SMILES |
O=CC(F)(C#CCF)C=O
|
| InChIKey |
IQGOIXBZEFJABD-UHFFFAOYSA-N
|
| MW [Da] |
146.09
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139798
Similarity: 0.84
Similarity to MM139798
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312131
Similarity: 0.7768
Similarity to MM312131
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8744 |
| Dice metric | 0.8744 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228557
Similarity: 0.7288
Similarity to MM228557
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8431 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
