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DocumentationIdentifier: MM336904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336904 |
| SMILES |
CCC(=CC(O)CO)CO
|
| InChIKey |
ZZYMLQFVENQHJL-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
MM247784
Similarity: 0.7949
Similarity to MM247784
| 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
|
MM150822
Similarity: 0.767
Similarity to MM150822
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267267
Similarity: 0.7615
Similarity to MM267267
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8669 |
| Dice metric | 0.8646 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
