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DocumentationIdentifier: MM325656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325656 |
| SMILES |
CCC(O)CC(CC)CN
|
| InChIKey |
NPEUTFUKDQRMPG-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149668
Similarity: 0.8085
Similarity to MM149668
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271957
Similarity: 0.8
Similarity to MM271957
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8889 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261169
Similarity: 0.7755
Similarity to MM261169
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8736 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
