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DocumentationIdentifier: MM387936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387936 |
| SMILES |
CCC(O)C(OC)C(C)N
|
| InChIKey |
MMUWFSDHFCTOAY-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180958
Similarity: 0.8099
Similarity to MM180958
| Tanimoto metric | 0.8099 |
|---|---|
| Cosine metric | 0.8999 |
| Dice metric | 0.8949 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61917
Similarity: 0.7744
Similarity to MM61917
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8729 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60885
Similarity: 0.6647
Similarity to MM60885
| Tanimoto metric | 0.6647 |
|---|---|
| Cosine metric | 0.7987 |
| Dice metric | 0.7986 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
