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DocumentationIdentifier: MM132779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132779 |
| SMILES |
CC(C)C(C)(C)C=CF
|
| InChIKey |
CPGBNBUVCIFETO-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.15
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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MM222433
Similarity: 0.8857
Similarity to MM222433
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222289
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| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM103144
Similarity: 0.7742
Similarity to MM103144
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+575 more
