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DocumentationIdentifier: MM375193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375193 |
| SMILES |
C#CC(=N)NC=CC#CC
|
| InChIKey |
JFPVAVKKYVBXSZ-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168912
Similarity: 0.8681
Similarity to MM168912
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63938
Similarity: 0.8058
Similarity to MM63938
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8925 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153875
Similarity: 0.8022
Similarity to MM153875
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
