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DocumentationIdentifier: MM208576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208576 |
| SMILES |
N#CC(CO)NCC=CF
|
| InChIKey |
LQZRLYGZDDOUQW-UHFFFAOYSA-N
|
| MW [Da] |
144.15
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
MM53874
Similarity: 0.7156
Similarity to MM53874
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8342 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42708
Similarity: 0.6979
Similarity to MM42708
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208390
Similarity: 0.693
Similarity to MM208390
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8187 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
