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DocumentationIdentifier: MM319671
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319671 |
| SMILES |
CC(CO)(CO)C(F)C#N
|
| InChIKey |
ZKQSTPIRBXETMT-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.16
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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MM35366
Similarity: 0.6604
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| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7955 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319474
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| Tanimoto metric | 0.5827 |
|---|---|
| Cosine metric | 0.7374 |
| Dice metric | 0.7363 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM42159
Similarity: 0.566
Similarity to MM42159
| Tanimoto metric | 0.566 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7229 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
