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DocumentationIdentifier: MM388583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388583 |
| SMILES |
C=C(C)C(CF)N(C)C=O
|
| InChIKey |
XNJGBIYKQVXYKU-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM179882
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| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6731 |
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| Cosine metric | 0.8204 |
| Dice metric | 0.8046 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388845
Similarity: 0.5833
Similarity to MM388845
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7402 |
| Dice metric | 0.7368 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
