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DocumentationIdentifier: MM454295
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454295 |
| SMILES |
C=CCC#CCNC=NC
|
| InChIKey |
XTVANRDAAAFFMX-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
MM216001
Similarity: 0.8451
Similarity to MM216001
| Tanimoto metric | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450578
Similarity: 0.7468
Similarity to MM450578
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8551 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454240
Similarity: 0.7468
Similarity to MM454240
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8551 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
