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DocumentationIdentifier: MM156001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156001 |
| SMILES |
C#CCCC(C)CC#N
|
| InChIKey |
DTUUCQKZTGWBDZ-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
1.95
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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MM278972
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| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156051
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| Tanimoto metric | 0.8065 |
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| Cosine metric | 0.8929 |
| Dice metric | 0.8929 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348613
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| Tanimoto metric | 0.7671 |
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| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
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