Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM272981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272981 |
| SMILES |
CC(C)CC(=CF)CC=O
|
| InChIKey |
HWSPMIQYRVDIFJ-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178524
Similarity: 0.7935
Similarity to MM178524
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390220
Similarity: 0.73
Similarity to MM390220
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8439 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135403
Similarity: 0.6957
Similarity to MM135403
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
