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DocumentationIdentifier: MM380123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380123 |
| SMILES |
C#CC#CC(C#N)NC=O
|
| InChIKey |
IZSVISKGEPLFBA-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178395
Similarity: 0.8333
Similarity to MM178395
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89509
Similarity: 0.7377
Similarity to MM89509
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8491 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89521
Similarity: 0.72
Similarity to MM89521
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
