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DocumentationIdentifier: MM293693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293693 |
| SMILES |
C#CCC(F)C(=O)COC
|
| InChIKey |
XVMNRURRMAZTIS-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172652
Similarity: 0.7836
Similarity to MM172652
| Tanimoto metric | 0.7836 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02671
Similarity: 0.628
Similarity to MM02671
| Tanimoto metric | 0.628 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7715 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233422
Similarity: 0.6069
Similarity to MM233422
| Tanimoto metric | 0.6069 |
|---|---|
| Cosine metric | 0.7559 |
| Dice metric | 0.7554 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
