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DocumentationIdentifier: MM28112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28112 |
| SMILES |
C=COC=CC#N
|
| InChIKey |
LUQDMWQBIICVDC-UHFFFAOYSA-N
|
| MW [Da] |
95.1
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126347
Similarity: 0.8947
Similarity to MM126347
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56501
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Similarity to MM56501
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 120.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25324
Similarity: 0.8235
Similarity to MM25324
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 83.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
