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DocumentationIdentifier: MM112387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112387 |
| SMILES |
CC(CN)=C(C)CF
|
| InChIKey |
WCBHTUONCGQTEO-UHFFFAOYSA-N
|
| MW [Da] |
117.17
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM71074
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| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72279
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Similarity to MM72279
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69706
Similarity: 0.8387
Similarity to MM69706
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
