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DocumentationIdentifier: MM442401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442401 |
| SMILES |
C#CCC1NC1C#CCC
|
| InChIKey |
XZDKYGINHUAWCM-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441262
Similarity: 0.9847
Similarity to MM441262
| Tanimoto metric | 0.9847 |
|---|---|
| Cosine metric | 0.9923 |
| Dice metric | 0.9923 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194959
Similarity: 0.9313
Similarity to MM194959
| Tanimoto metric | 0.9313 |
|---|---|
| Cosine metric | 0.965 |
| Dice metric | 0.9644 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217037
Similarity: 0.8779
Similarity to MM217037
| Tanimoto metric | 0.8779 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.935 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
