Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM355637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355637 |
| SMILES |
C=COCC(C)OCC#N
|
| InChIKey |
GTHRJWPZYJSBOC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155794
Similarity: 0.8
Similarity to MM155794
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45724
Similarity: 0.775
Similarity to MM45724
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291583
Similarity: 0.7473
Similarity to MM291583
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8553 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
