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DocumentationIdentifier: MM376453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376453 |
| SMILES |
N#CC(CCO)C(O)CF
|
| InChIKey |
AEJUOKRZJHXRHU-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376513
Similarity: 0.6897
Similarity to MM376513
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8163 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388131
Similarity: 0.6781
Similarity to MM388131
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8082 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326610
Similarity: 0.6549
Similarity to MM326610
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7915 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
