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DocumentationIdentifier: MM375853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375853 |
| SMILES |
CC(C#N)CC#CCC=O
|
| InChIKey |
GLGFMNYSETZMHH-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169124
Similarity: 0.7941
Similarity to MM169124
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375771
Similarity: 0.7714
Similarity to MM375771
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.871 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375855
Similarity: 0.75
Similarity to MM375855
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8571 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
