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DocumentationIdentifier: MM53638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53638 |
| SMILES |
C=CCNC(C#N)CC=O
|
| InChIKey |
CJFKEAFVFHOFCK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.24
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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MM198977
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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280976
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| Tanimoto metric | 0.7304 |
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| Cosine metric | 0.8451 |
| Dice metric | 0.8442 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
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Total active interactions
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MM281512
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Similarity to MM281512
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.84 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+109 more
