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DocumentationIdentifier: MM420391
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420391 |
| SMILES |
CC=C(C#N)OC=CCO
|
| InChIKey |
YLBRUFTUCXLENS-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200422
Similarity: 0.8404
Similarity to MM200422
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49252
Similarity: 0.7766
Similarity to MM49252
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8743 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420917
Similarity: 0.7248
Similarity to MM420917
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8404 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
