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DocumentationIdentifier: MM94445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94445 |
| SMILES |
C=C(CO)C(CC#N)OC
|
| InChIKey |
HENQLHXYLBWXML-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197219
Similarity: 0.7279
Similarity to MM197219
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293272
Similarity: 0.7171
Similarity to MM293272
| Tanimoto metric | 0.7171 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8352 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172512
Similarity: 0.7059
Similarity to MM172512
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
