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DocumentationIdentifier: MM283573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283573 |
| SMILES |
C=CC=C(C)CCCC=C
|
| InChIKey |
DQGLPYMCVVCZFQ-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.48
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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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM283497
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| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.9255 |
| Dice metric | 0.9254 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
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| AI: | 0
Total active interactions
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MM251927
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| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8827 |
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| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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