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DocumentationIdentifier: MM281958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281958 |
| SMILES |
C=CNC(=N)C=CNC=O
|
| InChIKey |
IFYSULWCLHOTRQ-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169890
Similarity: 0.828
Similarity to MM169890
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281957
Similarity: 0.7549
Similarity to MM281957
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8603 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358068
Similarity: 0.7333
Similarity to MM358068
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8462 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
