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DocumentationIdentifier: MM417415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417415 |
| SMILES |
C#CC(=NC)NCC=CC
|
| InChIKey |
ZPKRHBJOIVXIMY-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200254
Similarity: 0.8641
Similarity to MM200254
| Tanimoto metric | 0.8641 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9271 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167973
Similarity: 0.7087
Similarity to MM167973
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8295 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370046
Similarity: 0.6757
Similarity to MM370046
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8065 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
