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DocumentationIdentifier: MM144951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144951 |
| SMILES |
NC(=O)CNC(=O)CO
|
| InChIKey |
PUPJJWSKFYGKFM-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-2.42
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 | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251112
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| Tanimoto metric | 0.7944 |
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| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -1.77 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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