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DocumentationIdentifier: MM258856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258856 |
| SMILES |
CC(F)C=CCC(C)CN
|
| InChIKey |
YARBDACOCLHBQB-UHFFFAOYSA-N
|
| MW [Da] |
145.22
Automatically obtained from RDkit software. |
| LogP |
1.89
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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MM168007
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Similarity to MM168007
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153994
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| Tanimoto metric | 0.7564 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8613 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM85376
Similarity: 0.7209
Similarity to MM85376
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8378 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+605 more
