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DocumentationIdentifier: MM171783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171783 |
| SMILES |
NC(CO)C(O)CCO
|
| InChIKey |
HJOVMEHWPREARA-UHFFFAOYSA-N
|
| MW [Da] |
135.16
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 |
Similar entries
MM111486
Similarity: 0.8442
Similarity to MM111486
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348210
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| Tanimoto metric | 0.8105 |
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| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 150.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -3.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108049
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Similarity to MM108049
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
