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DocumentationIdentifier: MM72039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72039 |
| SMILES |
CCOCCNCCNC
|
| InChIKey |
CUTCQTWBLVIKNC-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM446800
Similarity: 0.8333
Similarity to MM446800
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9091 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446802
Similarity: 0.7576
Similarity to MM446802
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8621 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125530
Similarity: 0.75
Similarity to MM125530
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
