Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM170043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170043 |
| SMILES |
C#CCC=CC(=O)C#C
|
| InChIKey |
TYKMIDBDMFQFJR-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114364
Similarity: 0.9016
Similarity to MM114364
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44134
Similarity: 0.8676
Similarity to MM44134
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9299 |
| Dice metric | 0.9291 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365410
Similarity: 0.8356
Similarity to MM365410
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
