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DocumentationIdentifier: MM221073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221073 |
| SMILES |
CCCC(O)CC(C)(C)N
|
| InChIKey |
YEGDDMMWZASHLN-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129966
Similarity: 0.8723
Similarity to MM129966
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222482
Similarity: 0.7615
Similarity to MM222482
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8646 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225945
Similarity: 0.7227
Similarity to MM225945
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.839 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
