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DocumentationIdentifier: MM287842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287842 |
| SMILES |
CC(=O)NCCC#CCN
|
| InChIKey |
SEGLFACFJLEBJO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153067
Similarity: 0.8933
Similarity to MM153067
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287910
Similarity: 0.8095
Similarity to MM287910
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8948 |
| Dice metric | 0.8947 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287889
Similarity: 0.7882
Similarity to MM287889
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8816 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
