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DocumentationIdentifier: MM378263
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378263 |
| SMILES |
N=CN(C=CC=O)CC=O
|
| InChIKey |
JADZOSAQDLFKLC-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76164
Similarity: 0.875
Similarity to MM76164
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378265
Similarity: 0.7119
Similarity to MM378265
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8317 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378342
Similarity: 0.7119
Similarity to MM378342
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8317 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
