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DocumentationIdentifier: MM457716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457716 |
| SMILES |
C#CC#CC=COCCO
|
| InChIKey |
HMJSDPREESJBDF-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215238
Similarity: 0.8636
Similarity to MM215238
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215866
Similarity: 0.8485
Similarity to MM215866
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457661
Similarity: 0.8028
Similarity to MM457661
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8906 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
