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DocumentationIdentifier: MM387352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387352 |
| SMILES |
CC=CC(C=O)=CCNC
|
| InChIKey |
WVGIRKBSUIWXCG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68230
Similarity: 0.8061
Similarity to MM68230
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8927 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429638
Similarity: 0.7297
Similarity to MM429638
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8438 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439784
Similarity: 0.7248
Similarity to MM439784
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8404 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
