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DocumentationIdentifier: MM23748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23748 |
| SMILES |
C#CC(CC#N)N(C)C=O
|
| InChIKey |
YLROCHUQNVHVRK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51348
Similarity: 0.7317
Similarity to MM51348
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24635
Similarity: 0.6748
Similarity to MM24635
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377245
Similarity: 0.637
Similarity to MM377245
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7786 |
| Dice metric | 0.7782 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
