Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM368901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368901 |
| SMILES |
C#CC(=O)C#CC=CC#N
|
| InChIKey |
ZBWQPZSFGALQOV-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154741
Similarity: 0.8333
Similarity to MM154741
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170842
Similarity: 0.8095
Similarity to MM170842
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283323
Similarity: 0.7753
Similarity to MM283323
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8734 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
