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DocumentationIdentifier: MM305413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305413 |
| SMILES |
C#CC#CCN(C)C(C)=O
|
| InChIKey |
IPANXUZXOJSEHH-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163084
Similarity: 0.8617
Similarity to MM163084
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305282
Similarity: 0.7961
Similarity to MM305282
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8865 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394271
Similarity: 0.7788
Similarity to MM394271
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8757 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
