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DocumentationIdentifier: MM100660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100660 |
| SMILES |
CCCCNC=N
|
| InChIKey |
YUDJKMBKBDVCNR-UHFFFAOYSA-N
|
| MW [Da] |
100.17
Automatically obtained from RDkit software. |
| LogP |
0.98
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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MM125570
Similarity: 0.85
Similarity to MM125570
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125568
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
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| AI: | 0
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MM212922
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Similarity to MM212922
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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