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DocumentationIdentifier: MM325575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325575 |
| SMILES |
CC=CC(C)=C(C)C(N)=O
|
| InChIKey |
JEZWZMMHMGBMNV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316023
Similarity: 0.8235
Similarity to MM316023
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308172
Similarity: 0.7481
Similarity to MM308172
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8559 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317448
Similarity: 0.7227
Similarity to MM317448
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
