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DocumentationIdentifier: MM136052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136052 |
| SMILES |
CCC=C(C)NC(C)=O
|
| InChIKey |
QHBMTBYIXZUBON-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.44
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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MM237988
Similarity: 0.8559
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| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237989
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| Tanimoto metric | 0.8482 |
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| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223496
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| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+724 more
