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DocumentationIdentifier: MM460988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460988 |
| SMILES |
O=C(CO)C1NC1CCO
|
| InChIKey |
KZMQKFUXQDEEFK-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460601
Similarity: 0.9494
Similarity to MM460601
| Tanimoto metric | 0.9494 |
|---|---|
| Cosine metric | 0.9744 |
| Dice metric | 0.9741 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460553
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Similarity to MM460553
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194067
Similarity: 0.6589
Similarity to MM194067
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7944 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
