Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM229481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229481 |
| SMILES |
C=CC(C)(C=C)CC(C)=O
|
| InChIKey |
LUGLZCDVYIYEHK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130810
Similarity: 0.8409
Similarity to MM130810
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150117
Similarity: 0.75
Similarity to MM150117
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227063
Similarity: 0.7048
Similarity to MM227063
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8268 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
