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DocumentationIdentifier: MM294022
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294022 |
| SMILES |
CC(=O)C(F)C#CCCF
|
| InChIKey |
WDZOXRCQTRALNP-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163590
Similarity: 0.8812
Similarity to MM163590
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294021
Similarity: 0.8505
Similarity to MM294021
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9192 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294122
Similarity: 0.8165
Similarity to MM294122
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.899 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
