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DocumentationIdentifier: MM63660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63660 |
| SMILES |
C#CCCN(C=N)CC#N
|
| InChIKey |
HGDIFMZFAAKYPC-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
MM68206
Similarity: 0.7742
Similarity to MM68206
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63066
Similarity: 0.6792
Similarity to MM63066
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.809 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405520
Similarity: 0.6449
Similarity to MM405520
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7841 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
