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DocumentationIdentifier: MM412847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412847 |
| SMILES |
CNC(C=O)CC#N
|
| InChIKey |
YDIRVHCWUYWFAF-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51612
Similarity: 0.7791
Similarity to MM51612
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60059
Similarity: 0.6979
Similarity to MM60059
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28010
Similarity: 0.6907
Similarity to MM28010
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
