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DocumentationIdentifier: MM63566
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63566 |
| SMILES |
CC#CCC(C#N)NC=N
|
| InChIKey |
UBZPZQOISYQEHJ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63522
Similarity: 0.8349
Similarity to MM63522
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54898
Similarity: 0.7165
Similarity to MM54898
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8349 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243223
Similarity: 0.6414
Similarity to MM243223
| Tanimoto metric | 0.6414 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7815 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
