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DocumentationIdentifier: MM225904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225904 |
| SMILES |
CCC(C)(C)CC(O)CN
|
| InChIKey |
ITDSAHPGYYLDFS-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
MM141503
Similarity: 0.8132
Similarity to MM141503
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325650
Similarity: 0.7629
Similarity to MM325650
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8655 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261131
Similarity: 0.7353
Similarity to MM261131
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8475 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
