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DocumentationIdentifier: MM377325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377325 |
| SMILES |
CC(C#N)N1CC1C=O
|
| InChIKey |
MWLPIDJZRBBPNU-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.22
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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MM427955
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| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378582
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| Tanimoto metric | 0.7536 |
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| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
