Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM405496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405496 |
| SMILES |
COC(C=O)=CC=CC#N
|
| InChIKey |
OSYFRKAJTUUSNM-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
MM405404
Similarity: 0.6942
Similarity to MM405404
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8195 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171485
Similarity: 0.6893
Similarity to MM171485
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8161 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347640
Similarity: 0.686
Similarity to MM347640
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8137 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
