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DocumentationIdentifier: MM312856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312856 |
| SMILES |
CNC(C=O)(C=O)CC#N
|
| InChIKey |
GGZINPMOGXHFFA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46482
Similarity: 0.8534
Similarity to MM46482
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43957
Similarity: 0.7021
Similarity to MM43957
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.825 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312596
Similarity: 0.6875
Similarity to MM312596
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8148 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
