Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM79816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79816 |
| SMILES |
C#CC=CC#CC(=N)N
|
| InChIKey |
MPANIYUAVROVLK-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81045
Similarity: 0.875
Similarity to MM81045
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154723
Similarity: 0.7568
Similarity to MM154723
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8615 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368793
Similarity: 0.7442
Similarity to MM368793
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
