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DocumentationIdentifier: MM179825
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179825 |
| SMILES |
CNCC(OC)C(N)=O
|
| InChIKey |
UDZVJDPWQBJGEI-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392904
Similarity: 0.8387
Similarity to MM392904
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305239
Similarity: 0.832
Similarity to MM305239
| Tanimoto metric | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393088
Similarity: 0.8254
Similarity to MM393088
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
