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DocumentationIdentifier: MM264286
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264286 |
| SMILES |
CCC(O)CC(=O)C=CN
|
| InChIKey |
NOQVAYLCSWLHDN-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135826
Similarity: 0.8174
Similarity to MM135826
| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264354
Similarity: 0.7206
Similarity to MM264354
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8376 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264289
Similarity: 0.708
Similarity to MM264289
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8291 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
