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DocumentationIdentifier: MM247784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247784 |
| SMILES |
CC(=CC(O)CO)C(C)O
|
| InChIKey |
JNLKXCDUNVENRH-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM270281
Similarity: 0.8974
Similarity to MM270281
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9459 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336904
Similarity: 0.7949
Similarity to MM336904
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8857 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134206
Similarity: 0.757
Similarity to MM134206
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
