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DocumentationIdentifier: MM53874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53874 |
| SMILES |
CC=CCNC(C#N)CO
|
| InChIKey |
YKKHZWPLZOKVAD-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208576
Similarity: 0.7156
Similarity to MM208576
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8342 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289954
Similarity: 0.6869
Similarity to MM289954
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8144 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42023
Similarity: 0.6783
Similarity to MM42023
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8083 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
