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DocumentationIdentifier: MM385238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385238 |
| SMILES |
CNC(C)=C(C#N)NC=O
|
| InChIKey |
IYRGADPLRBEIHV-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180893
Similarity: 0.8583
Similarity to MM180893
| Tanimoto metric | 0.8583 |
|---|---|
| Cosine metric | 0.9264 |
| Dice metric | 0.9237 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87271
Similarity: 0.8214
Similarity to MM87271
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.902 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51957
Similarity: 0.7165
Similarity to MM51957
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
