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DocumentationIdentifier: MM246794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246794 |
| SMILES |
C=C(CF)CC(=O)C(=C)C
|
| InChIKey |
LEBCCVLLJYNCPN-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142684
Similarity: 0.7563
Similarity to MM142684
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8612 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142527
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| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM134018
Similarity: 0.6891
Similarity to MM134018
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8159 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
