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DocumentationIdentifier: MM68071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68071 |
| SMILES |
CNC(C#N)C=O
|
| InChIKey |
SEOLSDCAQNTVPE-UHFFFAOYSA-N
|
| MW [Da] |
98.11
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313955
Similarity: 0.7778
Similarity to MM313955
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76518
Similarity: 0.7538
Similarity to MM76518
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40073
Similarity: 0.6806
Similarity to MM40073
| Tanimoto metric | 0.6806 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8099 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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