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DocumentationIdentifier: MM447752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447752 |
| SMILES |
C#CCNC(C#CC)C=O
|
| InChIKey |
DGKWQPKVUPSHED-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47600
Similarity: 0.8447
Similarity to MM47600
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9158 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451709
Similarity: 0.8283
Similarity to MM451709
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9061 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91272
Similarity: 0.7094
Similarity to MM91272
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.83 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
