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DocumentationIdentifier: MM53934
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53934 |
| SMILES |
CN=C(CCO)NCC#N
|
| InChIKey |
WGPNTNQTRRKZKO-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156283
Similarity: 0.7155
Similarity to MM156283
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73427
Similarity: 0.6619
Similarity to MM73427
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7965 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355849
Similarity: 0.6241
Similarity to MM355849
| Tanimoto metric | 0.6241 |
|---|---|
| Cosine metric | 0.7706 |
| Dice metric | 0.7685 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
