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DocumentationIdentifier: MM160119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160119 |
| SMILES |
N=C(N)C(N)C(N)CO
|
| InChIKey |
JSCKBZITURQHCM-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
-2.43
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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| Tanimoto metric | 0.7389 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8498 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109067
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| Tanimoto metric | 0.6724 |
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| Cosine metric | 0.82 |
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| MW: | 116.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6379 |
|---|---|
| Cosine metric | 0.7987 |
| Dice metric | 0.7789 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
