Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM171229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171229 |
| SMILES |
C=CCOC=C(F)C=O
|
| InChIKey |
IPTJTBNGGOSPMG-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370548
Similarity: 0.8989
Similarity to MM370548
| Tanimoto metric | 0.8989 |
|---|---|
| Cosine metric | 0.9481 |
| Dice metric | 0.9467 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114779
Similarity: 0.8375
Similarity to MM114779
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49876
Similarity: 0.7363
Similarity to MM49876
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8481 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
