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DocumentationIdentifier: MM325482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325482 |
| SMILES |
C=C(C#N)CC=C(C)CC
|
| InChIKey |
RKTISTQNSJFTLD-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
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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MM146441
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| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7949 |
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| Cosine metric | 0.8916 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373932
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| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8611 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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