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DocumentationIdentifier: MM284025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284025 |
| SMILES |
CCC(C)=C(CF)C(N)=O
|
| InChIKey |
WHGJOAGJJXHBDA-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298516
Similarity: 0.7744
Similarity to MM298516
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8729 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.6871 |
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| Cosine metric | 0.8289 |
| Dice metric | 0.8145 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271039
Similarity: 0.6768
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| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.8073 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
