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DocumentationIdentifier: MM243461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243461 |
| SMILES |
CC#CC(C)(C#N)NC=O
|
| InChIKey |
MANLFSFMIXGDJQ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42427
Similarity: 0.7795
Similarity to MM42427
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178395
Similarity: 0.7087
Similarity to MM178395
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313128
Similarity: 0.6875
Similarity to MM313128
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8148 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
