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DocumentationIdentifier: MM233232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233232 |
| SMILES |
C=CC(O)C(C)(N)CNC
|
| InChIKey |
BBPQHSHZUPWLHS-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
MM172094
Similarity: 0.6538
Similarity to MM172094
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.7907 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242464
Similarity: 0.6211
Similarity to MM242464
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7663 |
| Dice metric | 0.7662 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362440
Similarity: 0.5886
Similarity to MM362440
| Tanimoto metric | 0.5886 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.741 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
