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DocumentationIdentifier: MM261152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261152 |
| SMILES |
CCC(O)CC(N)CCO
|
| InChIKey |
RSKAKSMEYXNRKB-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141530
Similarity: 0.8588
Similarity to MM141530
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236436
Similarity: 0.8068
Similarity to MM236436
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8931 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261175
Similarity: 0.7849
Similarity to MM261175
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8798 |
| Dice metric | 0.8795 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
