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DocumentationIdentifier: MM362018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362018 |
| SMILES |
CCOCC(C)N(C)CC
|
| InChIKey |
PCVVRVCNGBPDDD-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171897
Similarity: 0.8298
Similarity to MM171897
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162011
Similarity: 0.7447
Similarity to MM162011
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71702
Similarity: 0.6931
Similarity to MM71702
| Tanimoto metric | 0.6931 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8187 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
