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DocumentationIdentifier: MM51348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51348 |
| SMILES |
C#CC(CC#N)NC=O
|
| InChIKey |
DGRORLIMHAAHNJ-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75086
Similarity: 0.7759
Similarity to MM75086
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23748
Similarity: 0.7317
Similarity to MM23748
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37656
Similarity: 0.7222
Similarity to MM37656
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
