Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM355627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355627 |
| SMILES |
CC(CCC#N)OCC#N
|
| InChIKey |
PLSNEKIPVQPNQT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155793
Similarity: 0.85
Similarity to MM155793
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155805
Similarity: 0.825
Similarity to MM155805
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386949
Similarity: 0.7475
Similarity to MM386949
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8555 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
