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DocumentationIdentifier: MM156676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156676 |
| SMILES |
C#CCNC(=N)CC#C
|
| InChIKey |
SSFZDOKVJPSNOI-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.21
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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MM279030
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| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9153 |
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| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
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|---|---|---|---|---|---|
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Total active interactions
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MM113284
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| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
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| MW: | 110.16 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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