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DocumentationIdentifier: MM389400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389400 |
| SMILES |
CC#CC(C=O)CCCF
|
| InChIKey |
XBTVAYBKUOTMAE-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178374
Similarity: 0.7708
Similarity to MM178374
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379928
Similarity: 0.7207
Similarity to MM379928
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8377 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157478
Similarity: 0.6458
Similarity to MM157478
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.7848 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
