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DocumentationIdentifier: MM449416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM449416 |
| SMILES |
C#CC=CCCNC=NC
|
| InChIKey |
QYRGCCIGZIWDKK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213488
Similarity: 0.8056
Similarity to MM213488
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368642
Similarity: 0.6854
Similarity to MM368642
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.8133 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449320
Similarity: 0.6744
Similarity to MM449320
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8056 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
