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DocumentationIdentifier: MM352631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352631 |
| SMILES |
CC=CCC(O)C(N)CN
|
| InChIKey |
YGRQRRIVFWXUTQ-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162801
Similarity: 0.7652
Similarity to MM162801
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352633
Similarity: 0.6547
Similarity to MM352633
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7913 |
| Dice metric | 0.7913 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352840
Similarity: 0.6423
Similarity to MM352840
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7824 |
| Dice metric | 0.7822 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
