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DocumentationIdentifier: MM91268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91268 |
| SMILES |
CCC(=O)OCCNC=O
|
| InChIKey |
DTEBSVVIANFJRC-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166543
Similarity: 0.8556
Similarity to MM166543
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364858
Similarity: 0.8061
Similarity to MM364858
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8927 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64851
Similarity: 0.713
Similarity to MM64851
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8324 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
