Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM420898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420898 |
| SMILES |
C=CC(=CC)OC=CC#N
|
| InChIKey |
SMEXGSPGNHBUEU-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383440
Similarity: 0.8318
Similarity to MM383440
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9082 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200418
Similarity: 0.7872
Similarity to MM200418
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168844
Similarity: 0.766
Similarity to MM168844
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
