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DocumentationIdentifier: MM173216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173216 |
| SMILES |
C#CCC(=O)C(F)CO
|
| InChIKey |
IPPYOFXMBYTUEI-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM15593
Similarity: 0.6604
Similarity to MM15593
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7955 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172915
Similarity: 0.6471
Similarity to MM172915
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7857 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351458
Similarity: 0.6199
Similarity to MM351458
| Tanimoto metric | 0.6199 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7653 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
