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DocumentationIdentifier: MM152347
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152347 |
| SMILES |
C#CC1NC1C(=O)CC#N
|
| InChIKey |
UMLYVJNEZITAIP-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442790
Similarity: 0.8054
Similarity to MM442790
| Tanimoto metric | 0.8054 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8922 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146520
Similarity: 0.7421
Similarity to MM146520
| Tanimoto metric | 0.7421 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268949
Similarity: 0.7325
Similarity to MM268949
| Tanimoto metric | 0.7325 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8456 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
