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DocumentationIdentifier: MM397549
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397549 |
| SMILES |
NC(N)=C(C=O)OCC=O
|
| InChIKey |
USDVLMGTLLPFFS-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180882
Similarity: 0.8679
Similarity to MM180882
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54870
Similarity: 0.7642
Similarity to MM54870
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397485
Similarity: 0.7561
Similarity to MM397485
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8611 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
