Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM386994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386994 |
| SMILES |
C=CC(=CC=CF)CC=O
|
| InChIKey |
VPJNXXQALMZEPJ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304716
Similarity: 0.7876
Similarity to MM304716
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.8812 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179234
Similarity: 0.7732
Similarity to MM179234
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159694
Similarity: 0.7423
Similarity to MM159694
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
