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DocumentationIdentifier: MM172554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172554 |
| SMILES |
C=C(CN)C(C)NC=O
|
| InChIKey |
PTKBAGUKCRLVCC-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.36
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 | 0.7153 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.834 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7 |
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| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.03 |
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|---|---|---|---|---|---|
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Total active interactions
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MM162489
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Similarity to MM162489
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8128 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
