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DocumentationIdentifier: MM83292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83292 |
| SMILES |
C=C(CCC#N)OCC=O
|
| InChIKey |
IQONVHGLYKIEAP-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156273
Similarity: 0.8041
Similarity to MM156273
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156320
Similarity: 0.7938
Similarity to MM156320
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83293
Similarity: 0.7091
Similarity to MM83293
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8298 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
