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DocumentationIdentifier: MM24635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24635 |
| SMILES |
CC(CC#N)N(C)C=O
|
| InChIKey |
GSESNLWWMQJHMX-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23642
Similarity: 0.7094
Similarity to MM23642
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111588
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Similarity to MM111588
| Tanimoto metric | 0.6988 |
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| Cosine metric | 0.8359 |
| Dice metric | 0.8227 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33868
Similarity: 0.6988
Similarity to MM33868
| Tanimoto metric | 0.6988 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8227 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
