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DocumentationIdentifier: MM61166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61166 |
| SMILES |
C#CCNC(C#CC)CN
|
| InChIKey |
IJRLUGCUDVTTRF-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63918
Similarity: 0.871
Similarity to MM63918
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405545
Similarity: 0.8144
Similarity to MM405545
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8977 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61710
Similarity: 0.7545
Similarity to MM61710
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8601 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
