Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM304542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304542 |
| SMILES |
C#CC=C(CC#C)NC=N
|
| InChIKey |
CEJBKLWYJRNPDB-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178654
Similarity: 0.8362
Similarity to MM178654
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179065
Similarity: 0.8362
Similarity to MM179065
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376986
Similarity: 0.7132
Similarity to MM376986
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8326 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
