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DocumentationIdentifier: MM452415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452415 |
| SMILES |
C#CCNC=NCC=CC
|
| InChIKey |
JMPDZOOXWBMKNX-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
MM215049
Similarity: 0.8529
Similarity to MM215049
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452360
Similarity: 0.75
Similarity to MM452360
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452256
Similarity: 0.7013
Similarity to MM452256
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8244 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
