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DocumentationIdentifier: MM366448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366448 |
| SMILES |
CN=CNCCC(O)C=O
|
| InChIKey |
NREDSJHWYODKOO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152907
Similarity: 0.7556
Similarity to MM152907
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105545
Similarity: 0.6111
Similarity to MM105545
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7586 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258753
Similarity: 0.5484
Similarity to MM258753
| Tanimoto metric | 0.5484 |
|---|---|
| Cosine metric | 0.7097 |
| Dice metric | 0.7083 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
