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DocumentationIdentifier: MM392588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392588 |
| SMILES |
CC(O)C(C#N)OCCO
|
| InChIKey |
XRIMGVXELDDNJO-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
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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MM52175
Similarity: 0.8545
Similarity to MM52175
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274986
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| Tanimoto metric | 0.7805 |
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| Cosine metric | 0.8767 |
| Dice metric | 0.8767 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376491
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Similarity to MM376491
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8545 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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