Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM199267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199267 |
| SMILES |
C=CC(C#N)NCC#N
|
| InChIKey |
QJIOMUYGAZVVSJ-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26847
Similarity: 0.8987
Similarity to MM26847
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116166
Similarity: 0.8592
Similarity to MM116166
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199265
Similarity: 0.8442
Similarity to MM199265
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9155 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
