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DocumentationIdentifier: MM387596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387596 |
| SMILES |
C#CCN(C=N)CCC#N
|
| InChIKey |
ACUYBBVUPRYINM-UHFFFAOYSA-N
|
| MW [Da] |
135.17
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
MM92779
Similarity: 0.6935
Similarity to MM92779
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.819 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387030
Similarity: 0.69
Similarity to MM387030
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8166 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387544
Similarity: 0.6697
Similarity to MM387544
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8022 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
