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DocumentationIdentifier: MM262854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262854 |
| SMILES |
CC(C=O)NC(=O)CC#N
|
| InChIKey |
OYVACWOYWZZBHD-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.4
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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MM142277
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| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7524 |
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| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.42 |
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| AI: | 0
Total active interactions
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MM466897
Similarity: 0.7321
Similarity to MM466897
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8454 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
