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DocumentationIdentifier: MM160021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160021 |
| SMILES |
C=CC(O)C(N)C(C)N
|
| InChIKey |
XIHMYVOUMCCKCK-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 |
Similar entries
MM348342
Similarity: 0.8296
Similarity to MM348342
| Tanimoto metric | 0.8296 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9069 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348389
Similarity: 0.7089
Similarity to MM348389
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8296 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111554
Similarity: 0.6696
Similarity to MM111554
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
