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DocumentationIdentifier: MM433604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433604 |
| SMILES |
N#CCC1NC1(C#N)C#N
|
| InChIKey |
ABEXZICGEJHUOQ-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177235
Similarity: 0.8674
Similarity to MM177235
| Tanimoto metric | 0.8674 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336426
Similarity: 0.7805
Similarity to MM336426
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8767 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433087
Similarity: 0.7464
Similarity to MM433087
| Tanimoto metric | 0.7464 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8548 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
