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DocumentationIdentifier: MM356595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356595 |
| SMILES |
C#CC=CC(O)C(=C)C#C
|
| InChIKey |
XMCMPJJRXBQQLU-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174324
Similarity: 0.8684
Similarity to MM174324
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356540
Similarity: 0.7174
Similarity to MM356540
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8354 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356577
Similarity: 0.7122
Similarity to MM356577
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8319 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
