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DocumentationIdentifier: MM371225
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371225 |
| SMILES |
C#CC(=O)NCC#CCN
|
| InChIKey |
QKPSNPXSDYYAQW-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167731
Similarity: 0.8947
Similarity to MM167731
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371278
Similarity: 0.8214
Similarity to MM371278
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.902 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288302
Similarity: 0.7949
Similarity to MM288302
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8857 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
