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DocumentationIdentifier: MM343506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343506 |
| SMILES |
CCC1(CCC(C)F)CC1
|
| InChIKey |
PAFYKVFROAAATR-UHFFFAOYSA-N
|
| MW [Da] |
144.23
Automatically obtained from RDkit software. |
| LogP |
3.31
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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MM149475
Similarity: 0.931
Similarity to MM149475
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324945
Similarity: 0.8351
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| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9101 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM230900
Similarity: 0.8182
Similarity to MM230900
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.9 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
