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DocumentationIdentifier: MM194959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194959 |
| SMILES |
C#CCC1NC1C#CC
|
| InChIKey |
VSIJMMLQIZXLIW-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.37
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: 0.9457
Similarity to MM441262
| Tanimoto metric | 0.9457 |
|---|---|
| Cosine metric | 0.9725 |
| Dice metric | 0.9721 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442401
Similarity: 0.9313
Similarity to MM442401
| Tanimoto metric | 0.9313 |
|---|---|
| Cosine metric | 0.965 |
| Dice metric | 0.9644 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM128053
Similarity: 0.8607
Similarity to MM128053
| Tanimoto metric | 0.8607 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9251 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
