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DocumentationIdentifier: MM290085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290085 |
| SMILES |
C#CCC=CC#CC(=N)N
|
| InChIKey |
RJFCUUNEKFUGOC-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154722
Similarity: 0.8974
Similarity to MM154722
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94568
Similarity: 0.8235
Similarity to MM94568
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.9032 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290069
Similarity: 0.814
Similarity to MM290069
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8974 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
