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DocumentationIdentifier: MM359779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359779 |
| SMILES |
O=CC#CC(=O)C=CC=O
|
| InChIKey |
IOJFXFIBOLYPLM-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158705
Similarity: 0.8916
Similarity to MM158705
| Tanimoto metric | 0.8916 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9427 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158277
Similarity: 0.8795
Similarity to MM158277
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359808
Similarity: 0.7708
Similarity to MM359808
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8706 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
