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DocumentationIdentifier: MM200521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200521 |
| SMILES |
CNC(C=CCN)CO
|
| InChIKey |
DCHNPQZEMMBHDH-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.92
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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MM343364
Similarity: 0.8229
Similarity to MM343364
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55054
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| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377573
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Similarity to MM377573
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
