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DocumentationIdentifier: MM225443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225443 |
| SMILES |
CCC(C)(O)C(N)C(C)C
|
| InChIKey |
PRJDWDWNOPZGNZ-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223639
Similarity: 0.8045
Similarity to MM223639
| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8917 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233078
Similarity: 0.7319
Similarity to MM233078
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8452 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159925
Similarity: 0.719
Similarity to MM159925
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8365 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
