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DocumentationIdentifier: MM40838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40838 |
| SMILES |
C=C(F)CC(=O)C(C)O
|
| InChIKey |
CNHLNJFXNMXGQF-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66418
Similarity: 0.8058
Similarity to MM66418
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8924 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269280
Similarity: 0.8
Similarity to MM269280
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269415
Similarity: 0.7724
Similarity to MM269415
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8789 |
| Dice metric | 0.8716 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
