Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM177881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177881 |
| SMILES |
O=CCC(CF)CC=O
|
| InChIKey |
DSBSYJKLHAXQJT-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115951
Similarity: 0.9231
Similarity to MM115951
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243077
Similarity: 0.7429
Similarity to MM243077
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177803
Similarity: 0.7059
Similarity to MM177803
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8276 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
