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DocumentationIdentifier: MM84306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84306 |
| SMILES |
CC(=CNC=O)OCC#N
|
| InChIKey |
IWGQNTNSHKIGPK-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159516
Similarity: 0.8081
Similarity to MM159516
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90508
Similarity: 0.6723
Similarity to MM90508
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.804 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84314
Similarity: 0.6723
Similarity to MM84314
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.804 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
