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DocumentationIdentifier: MM406436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406436 |
| SMILES |
CCC(CC)C(N)COC
|
| InChIKey |
HZORMQGAUZADQN-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
MM361927
Similarity: 0.7905
Similarity to MM361927
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.883 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292597
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Similarity to MM292597
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.883 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196782
Similarity: 0.7556
Similarity to MM196782
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
