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DocumentationIdentifier: MM236812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236812 |
| SMILES |
CC(C)N=C(N)CCC=O
|
| InChIKey |
JCZXLMZUKSLIIK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355897
Similarity: 0.767
Similarity to MM355897
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8681 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86376
Similarity: 0.6829
Similarity to MM86376
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8116 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262685
Similarity: 0.6639
Similarity to MM262685
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.798 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
