Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM214469
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214469 |
| SMILES |
CCC=CCC=CC=O
|
| InChIKey |
YUPOVSHIQPPPSA-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM453019
Similarity: 0.9524
Similarity to MM453019
| Tanimoto metric | 0.9524 |
|---|---|
| Cosine metric | 0.9759 |
| Dice metric | 0.9756 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126321
Similarity: 0.85
Similarity to MM126321
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214539
Similarity: 0.85
Similarity to MM214539
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
