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DocumentationIdentifier: MM133006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133006 |
| SMILES |
CC(C)CCCC(=N)N
|
| InChIKey |
VYSHQGUSKZNJJW-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.75
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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MM257720
Similarity: 0.8382
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| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM105612
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| Tanimoto metric | 0.807 |
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| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 114.19 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.5 |
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| AI: | 0
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MM152624
Similarity: 0.7541
Similarity to MM152624
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8598 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
