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DocumentationIdentifier: MM334520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334520 |
| SMILES |
C#CC(=C)NC(C=C)=NC
|
| InChIKey |
YXHPSTDARKWAQG-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
MM143220
Similarity: 0.7445
Similarity to MM143220
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89574
Similarity: 0.7372
Similarity to MM89574
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8487 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334452
Similarity: 0.6646
Similarity to MM334452
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7985 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
