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DocumentationIdentifier: MM268629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268629 |
| SMILES |
C#CC(N)C(O)CC(=C)F
|
| InChIKey |
QJTMNTDSQHPQBF-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74518
Similarity: 0.7338
Similarity to MM74518
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8464 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172283
Similarity: 0.6688
Similarity to MM172283
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8016 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268461
Similarity: 0.6278
Similarity to MM268461
| Tanimoto metric | 0.6278 |
|---|---|
| Cosine metric | 0.7723 |
| Dice metric | 0.7713 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
