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DocumentationIdentifier: MM28817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28817 |
| SMILES |
CCC#CC(N)C(O)CF
|
| InChIKey |
HIJLQQKVYAIHOH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33468
Similarity: 0.878
Similarity to MM33468
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357411
Similarity: 0.7971
Similarity to MM357411
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8871 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357413
Similarity: 0.7714
Similarity to MM357413
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.871 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
