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DocumentationIdentifier: MM432281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432281 |
| SMILES |
C#CCN(C=N)CC1CN1
|
| InChIKey |
JJMAXKXETOKQHK-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208445
Similarity: 0.7815
Similarity to MM208445
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8773 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432232
Similarity: 0.6575
Similarity to MM432232
| Tanimoto metric | 0.6575 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.7933 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461543
Similarity: 0.6477
Similarity to MM461543
| Tanimoto metric | 0.6477 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7862 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
