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DocumentationIdentifier: MM237988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237988 |
| SMILES |
C=CCC=C(C)NC(C)=O
|
| InChIKey |
IVQACHMIWGRPII-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136052
Similarity: 0.8559
Similarity to MM136052
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237989
Similarity: 0.7422
Similarity to MM237989
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.852 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237940
Similarity: 0.7422
Similarity to MM237940
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.852 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
