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DocumentationIdentifier: MM282999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282999 |
| SMILES |
C#CCC(N)C#CC=CF
|
| InChIKey |
FUEUPDLNBYQIMK-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170731
Similarity: 0.8736
Similarity to MM170731
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158456
Similarity: 0.8046
Similarity to MM158456
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282947
Similarity: 0.7573
Similarity to MM282947
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8619 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
