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DocumentationIdentifier: MM75690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75690 |
| SMILES |
C=COC(CC#N)C(N)=O
|
| InChIKey |
UCLSKKMGHKJWBN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52251
Similarity: 0.7852
Similarity to MM52251
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8797 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75652
Similarity: 0.6879
Similarity to MM75652
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8151 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305336
Similarity: 0.6532
Similarity to MM305336
| Tanimoto metric | 0.6532 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7902 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
