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DocumentationIdentifier: MM85908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85908 |
| SMILES |
NCCCCCC(N)=O
|
| InChIKey |
ZLHYDRXTDZFRDZ-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300920
Similarity: 0.9412
Similarity to MM300920
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9697 |
| Dice metric | 0.9697 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM342750
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| Tanimoto metric | 0.92 |
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| Cosine metric | 0.9592 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.05 |
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Total active interactions
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MM287036
Similarity: 0.8065
Similarity to MM287036
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
