Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM454917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454917 |
| SMILES |
CCCC=CC=COC=O
|
| InChIKey |
XKEQTZVDQFWWFA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215548
Similarity: 0.8636
Similarity to MM215548
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215499
Similarity: 0.803
Similarity to MM215499
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456800
Similarity: 0.7162
Similarity to MM456800
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8346 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
