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DocumentationIdentifier: MM238256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238256 |
| SMILES |
CCC=CC(=O)C=C(N)N
|
| InChIKey |
YAKMXVMUBZBWAI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23917
Similarity: 0.8571
Similarity to MM23917
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238263
Similarity: 0.7957
Similarity to MM238263
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8862 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282396
Similarity: 0.7444
Similarity to MM282396
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8535 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
