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DocumentationIdentifier: MM247319
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247319 |
| SMILES |
CC(=CC(O)C(C)C)CO
|
| InChIKey |
GSDMKBCIAZQPBT-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM401423
Similarity: 0.7604
Similarity to MM401423
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266358
Similarity: 0.7
Similarity to MM266358
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8235 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393170
Similarity: 0.6875
Similarity to MM393170
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.8148 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
