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DocumentationIdentifier: MM289126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289126 |
| SMILES |
CCC#CC#CCC(=N)N
|
| InChIKey |
PKFUSOIFFBGJKO-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153982
Similarity: 0.9692
Similarity to MM153982
| Tanimoto metric | 0.9692 |
|---|---|
| Cosine metric | 0.9845 |
| Dice metric | 0.9844 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289149
Similarity: 0.8873
Similarity to MM289149
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.9403 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106196
Similarity: 0.8462
Similarity to MM106196
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
