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DocumentationIdentifier: MM156135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156135 |
| SMILES |
CCCNC(=N)CCC
|
| InChIKey |
HFMWRWXGVYNOJM-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.76
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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MM291790
Similarity: 0.9429
Similarity to MM291790
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9091 |
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| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166440
Similarity: 0.8571
Similarity to MM166440
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9231 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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