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DocumentationIdentifier: MM94113
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94113 |
| SMILES |
CC(CF)C(C=O)CCO
|
| InChIKey |
QVFXQVHDSDXGJK-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51252
Similarity: 0.7423
Similarity to MM51252
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196926
Similarity: 0.7216
Similarity to MM196926
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376440
Similarity: 0.6731
Similarity to MM376440
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.8046 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
