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DocumentationIdentifier: MM294444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294444 |
| SMILES |
CC=CC#CC(F)C(C)F
|
| InChIKey |
VITOABTUNAZRNY-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163524
Similarity: 0.8431
Similarity to MM163524
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358085
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| Tanimoto metric | 0.7611 |
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| Cosine metric | 0.8646 |
| Dice metric | 0.8643 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170742
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Similarity to MM170742
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
