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DocumentationIdentifier: MM87226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87226 |
| SMILES |
CNC(N)=C(C#N)NC=O
|
| InChIKey |
YGDLNSJOEHLARX-UHFFFAOYSA-N
|
| MW [Da] |
140.15
Automatically obtained from RDkit software. |
| LogP |
-1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52844
Similarity: 0.7405
Similarity to MM52844
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51957
Similarity: 0.6947
Similarity to MM51957
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8198 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67722
Similarity: 0.6026
Similarity to MM67722
| Tanimoto metric | 0.6026 |
|---|---|
| Cosine metric | 0.7546 |
| Dice metric | 0.7521 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
