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DocumentationIdentifier: MM172538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172538 |
| SMILES |
CNC(=O)C(O)CC=O
|
| InChIKey |
KCHSNJSXCXPSOW-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
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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MM298297
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Similarity to MM298297
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111756
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| Tanimoto metric | 0.8019 |
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| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268853
Similarity: 0.797
Similarity to MM268853
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
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| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
