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DocumentationIdentifier: MM149475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149475 |
| SMILES |
CC(F)CCC1(C)CC1
|
| InChIKey |
ADOSBIKMXOTPPH-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
2.92
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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Similarity to MM343506
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9435 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM230900
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Similarity to MM230900
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+524 more
