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DocumentationIdentifier: MM292268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292268 |
| SMILES |
C=CCNCC(=C)CC=C
|
| InChIKey |
ILURWTPRSIHNCO-UHFFFAOYSA-N
|
| MW [Da] |
137.23
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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MM156383
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| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292059
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| Cosine metric | 0.9481 |
| Dice metric | 0.9481 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.12 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166637
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+664 more
