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DocumentationIdentifier: MM442032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442032 |
| SMILES |
CCCN1CC1C#CC#N
|
| InChIKey |
HTGVYOUQMWCVSD-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217342
Similarity: 0.8867
Similarity to MM217342
| Tanimoto metric | 0.8867 |
|---|---|
| Cosine metric | 0.9416 |
| Dice metric | 0.9399 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194938
Similarity: 0.82
Similarity to MM194938
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442450
Similarity: 0.8012
Similarity to MM442450
| Tanimoto metric | 0.8012 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8896 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
