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DocumentationIdentifier: MM428174
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM428174 |
| SMILES |
CC#CC=CN(C=O)CC
|
| InChIKey |
KCVVHTXKAAZRLE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200733
Similarity: 0.8511
Similarity to MM200733
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293768
Similarity: 0.7768
Similarity to MM293768
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8757 |
| Dice metric | 0.8744 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89146
Similarity: 0.7207
Similarity to MM89146
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8377 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
