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DocumentationIdentifier: MM87231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87231 |
| SMILES |
CNC(N)=C(C#N)OC=O
|
| InChIKey |
QRSZLAGPMBBRBN-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52852
Similarity: 0.7101
Similarity to MM52852
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51966
Similarity: 0.7029
Similarity to MM51966
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67724
Similarity: 0.6447
Similarity to MM67724
| Tanimoto metric | 0.6447 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.784 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
