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DocumentationIdentifier: MM276085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276085 |
| SMILES |
CC(C)C=C(CN)C(N)=O
|
| InChIKey |
IBLNADWPDDTHMB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.01
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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MM180682
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| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.8974 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM298956
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8761 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
