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DocumentationIdentifier: MM172075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172075 |
| SMILES |
C=CC(N)C(O)CCN
|
| InChIKey |
MLOKDDPBJIRYIN-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.79
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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MM59838
Similarity: 0.7957
Similarity to MM59838
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294248
Similarity: 0.75
Similarity to MM294248
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59444
Similarity: 0.6916
Similarity to MM59444
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8177 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
