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DocumentationIdentifier: MM376719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376719 |
| SMILES |
CN(C=O)C(C#N)CCO
|
| InChIKey |
DYRVCSBKHCDVDV-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24003
Similarity: 0.7581
Similarity to MM24003
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177984
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Similarity to MM177984
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282486
Similarity: 0.6694
Similarity to MM282486
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
