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DocumentationIdentifier: MM78090
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78090 |
| SMILES |
C#CCC(C=O)(C=O)CF
|
| InChIKey |
YJZMZAVUMKVDJX-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.36
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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MM139434
Similarity: 0.8351
Similarity to MM139434
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320005
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| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7826 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116117
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Similarity to MM116117
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7643 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
