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DocumentationIdentifier: MM402116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402116 |
| SMILES |
CCC(CC)COCCN
|
| InChIKey |
GMBDZKZAMQRWFI-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165574
Similarity: 0.8824
Similarity to MM165574
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291148
Similarity: 0.7848
Similarity to MM291148
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8794 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300997
Similarity: 0.7821
Similarity to MM300997
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8777 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
