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DocumentationIdentifier: MM258152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258152 |
| SMILES |
C=CC(CO)NC(C)C#N
|
| InChIKey |
HTFFXSVDAGVMLE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257935
Similarity: 0.8061
Similarity to MM257935
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8927 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208390
Similarity: 0.8056
Similarity to MM208390
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8923 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327082
Similarity: 0.6762
Similarity to MM327082
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.8068 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
