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DocumentationIdentifier: MM348389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348389 |
| SMILES |
C=CC(O)C(N)C(C)NC
|
| InChIKey |
OMBVMXSZGBFORG-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160021
Similarity: 0.7089
Similarity to MM160021
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8296 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172094
Similarity: 0.6456
Similarity to MM172094
| Tanimoto metric | 0.6456 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.7846 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348342
Similarity: 0.6188
Similarity to MM348342
| Tanimoto metric | 0.6188 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7645 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
