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DocumentationIdentifier: MM239322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239322 |
| SMILES |
CC(F)(CO)COCCO
|
| InChIKey |
OCCQCERMUOFZMB-UHFFFAOYSA-N
|
| MW [Da] |
152.17
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131491
Similarity: 0.7907
Similarity to MM131491
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239320
Similarity: 0.7789
Similarity to MM239320
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8757 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227802
Similarity: 0.7255
Similarity to MM227802
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8409 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
