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DocumentationIdentifier: MM63066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63066 |
| SMILES |
N#CCCN(C=N)CC#N
|
| InChIKey |
ZUSLWRQHEJHJHC-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM68206
Similarity: 0.8471
Similarity to MM68206
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387030
Similarity: 0.7582
Similarity to MM387030
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8625 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387431
Similarity: 0.6857
Similarity to MM387431
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8136 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
