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DocumentationIdentifier: MM237596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237596 |
| SMILES |
C=C(C=CCN)NC(C)=O
|
| InChIKey |
JWGNQNCMCRFLNG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135865
Similarity: 0.8667
Similarity to MM135865
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237597
Similarity: 0.7339
Similarity to MM237597
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8465 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264551
Similarity: 0.728
Similarity to MM264551
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8426 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
