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DocumentationIdentifier: MM160440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160440 |
| SMILES |
C=CC(=C)C(O)C(C)O
|
| InChIKey |
BIYTYRCDEZVSOR-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349290
Similarity: 0.803
Similarity to MM349290
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82378
Similarity: 0.726
Similarity to MM82378
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349984
Similarity: 0.7211
Similarity to MM349984
| Tanimoto metric | 0.7211 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8379 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
