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DocumentationIdentifier: MM453144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453144 |
| SMILES |
C#CCNC=NC=CC=C
|
| InChIKey |
VXHHQVGWAPLWMO-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215393
Similarity: 0.8592
Similarity to MM215393
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452877
Similarity: 0.7349
Similarity to MM452877
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8472 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54428
Similarity: 0.7262
Similarity to MM54428
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8414 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
