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DocumentationIdentifier: MM295654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295654 |
| SMILES |
CCC(C=O)=CCNC=O
|
| InChIKey |
CZXBATLNRKJMAW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67172
Similarity: 0.8351
Similarity to MM67172
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437790
Similarity: 0.783
Similarity to MM437790
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8783 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295575
Similarity: 0.7807
Similarity to MM295575
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8768 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
