Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM383910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383910 |
| SMILES |
COC(C=CC=O)=CC#N
|
| InChIKey |
JWHVKOWTAPYZBA-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200997
Similarity: 0.7455
Similarity to MM200997
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383868
Similarity: 0.6825
Similarity to MM383868
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8113 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383935
Similarity: 0.6515
Similarity to MM383935
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.789 |
| Dice metric | 0.789 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
