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DocumentationIdentifier: MM454641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454641 |
| SMILES |
CC#CC#CCC=CC=O
|
| InChIKey |
VJQZQYCABCIKBI-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214641
Similarity: 0.9032
Similarity to MM214641
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216121
Similarity: 0.7742
Similarity to MM216121
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458971
Similarity: 0.75
Similarity to MM458971
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8571 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
