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DocumentationIdentifier: MM246658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246658 |
| SMILES |
C=C(C)C(=C)CN(C)CC
|
| InChIKey |
BZVIVJVRGGMBDC-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.07
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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MM133994
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76455
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| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM80324
Similarity: 0.7034
Similarity to MM80324
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8259 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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