Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM240579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240579 |
| SMILES |
C=CC(C)(C)OC=CC=O
|
| InChIKey |
DAWGSASUHLUAPX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138648
Similarity: 0.8214
Similarity to MM138648
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168354
Similarity: 0.7857
Similarity to MM168354
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240522
Similarity: 0.734
Similarity to MM240522
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8466 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
