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DocumentationIdentifier: MM237619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237619 |
| SMILES |
CC(=O)CC(=O)C=CC#N
|
| InChIKey |
JIWZWJAYIUDDSO-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264546
Similarity: 0.7282
Similarity to MM264546
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8427 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357811
Similarity: 0.7196
Similarity to MM357811
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.837 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83779
Similarity: 0.6972
Similarity to MM83779
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8216 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
