Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM442309
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442309 |
| SMILES |
C=CC#CC1CN1CC#N
|
| InChIKey |
YCDVGGRVRCLHCR-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194956
Similarity: 0.8447
Similarity to MM194956
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217340
Similarity: 0.8137
Similarity to MM217340
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8973 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442381
Similarity: 0.7569
Similarity to MM442381
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8616 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
