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DocumentationIdentifier: MM89123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89123 |
| SMILES |
C#CC=CC(C#N)NC=O
|
| InChIKey |
HWUMFAVRQSOPCM-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51394
Similarity: 0.7965
Similarity to MM51394
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89084
Similarity: 0.6923
Similarity to MM89084
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8182 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274050
Similarity: 0.6818
Similarity to MM274050
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.8108 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
