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DocumentationIdentifier: MM262636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262636 |
| SMILES |
C#CCC(=O)CC(O)CF
|
| InChIKey |
XYZPRUHSCRGNHE-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
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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MM41128
Similarity: 0.7094
Similarity to MM41128
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM64828
Similarity: 0.6899
Similarity to MM64828
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8165 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262517
Similarity: 0.6338
Similarity to MM262517
| Tanimoto metric | 0.6338 |
|---|---|
| Cosine metric | 0.7759 |
| Dice metric | 0.7759 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
