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DocumentationIdentifier: MM363072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363072 |
| SMILES |
CCC(C)NCCCCN
|
| InChIKey |
YMUKFPITBPXIQC-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165622
Similarity: 0.8868
Similarity to MM165622
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152521
Similarity: 0.8113
Similarity to MM152521
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355369
Similarity: 0.7846
Similarity to MM355369
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8793 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+809 more
