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DocumentationIdentifier: MM59627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59627 |
| SMILES |
CCC(C#N)NCC(C)=O
|
| InChIKey |
LSRHYXFZQTUXDG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431232
Similarity: 0.78
Similarity to MM431232
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350578
Similarity: 0.7054
Similarity to MM350578
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8272 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63420
Similarity: 0.6949
Similarity to MM63420
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.82 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
