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DocumentationIdentifier: MM78226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78226 |
| SMILES |
C#CC(C#N)(C#N)NC=O
|
| InChIKey |
QCAPUDDVOGTIBC-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.85
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: 0.8462
Similarity to MM42427
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313128
Similarity: 0.7388
Similarity to MM313128
| Tanimoto metric | 0.7388 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8498 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243461
Similarity: 0.6828
Similarity to MM243461
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8115 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
