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DocumentationIdentifier: MM212990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212990 |
| SMILES |
O=COCCNCCO
|
| InChIKey |
YDACPJBFCUUSOX-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.26
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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MM66167
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Similarity to MM66167
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM100679
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| Tanimoto metric | 0.76 |
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| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152592
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| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8598 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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