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DocumentationIdentifier: MM264322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264322 |
| SMILES |
CC=CC(=O)NC(C)CO
|
| InChIKey |
AHVLNEKWRRIBHT-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
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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| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8701 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298703
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Similarity to MM298703
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8242 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
