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DocumentationIdentifier: MM221485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221485 |
| SMILES |
CC(O)CC(N)C(C)(C)O
|
| InChIKey |
ZPLUPULDTYTMQK-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
MM131986
Similarity: 0.7627
Similarity to MM131986
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221483
Similarity: 0.7402
Similarity to MM221483
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8507 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231209
Similarity: 0.6842
Similarity to MM231209
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8125 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
