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DocumentationIdentifier: MM75676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75676 |
| SMILES |
CC#CCN(C=N)CCN
|
| InChIKey |
BUPFSVQKCQLXTA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178020
Similarity: 0.7978
Similarity to MM178020
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199716
Similarity: 0.764
Similarity to MM199716
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408751
Similarity: 0.7216
Similarity to MM408751
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8383 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
