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DocumentationIdentifier: MM54232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54232 |
| SMILES |
N#CC(CO)CCCF
|
| InChIKey |
QLUZZLHVZVOGNT-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37522
Similarity: 0.7297
Similarity to MM37522
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340855
Similarity: 0.6852
Similarity to MM340855
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326610
Similarity: 0.6607
Similarity to MM326610
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.7957 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
