Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM259275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259275 |
| SMILES |
CCC(=O)CC=CC(C)=O
|
| InChIKey |
JJQDVEIECQWKJX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373115
Similarity: 0.8382
Similarity to MM373115
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280416
Similarity: 0.8108
Similarity to MM280416
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8955 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168461
Similarity: 0.8088
Similarity to MM168461
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+590 more
