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DocumentationIdentifier: MM116076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116076 |
| SMILES |
NC=NC(C=O)CO
|
| InChIKey |
HHPBDIJGAWZYSJ-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
-1.47
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 | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6939 |
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| Cosine metric | 0.833 |
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| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM63174
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Similarity to MM63174
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
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| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+83 more
