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DocumentationIdentifier: MM180893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180893 |
| SMILES |
CC(N)=C(C#N)NC=O
|
| InChIKey |
KIVNZPZFIXNURL-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385238
Similarity: 0.8583
Similarity to MM385238
| Tanimoto metric | 0.8583 |
|---|---|
| Cosine metric | 0.9264 |
| Dice metric | 0.9237 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87271
Similarity: 0.8516
Similarity to MM87271
| Tanimoto metric | 0.8516 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87269
Similarity: 0.7569
Similarity to MM87269
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8617 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
