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DocumentationIdentifier: MM315314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315314 |
| SMILES |
COC(C)CCC(N)CO
|
| InChIKey |
CUDCDFDAUHLLIB-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
MM144037
Similarity: 0.7895
Similarity to MM144037
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315310
Similarity: 0.7383
Similarity to MM315310
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8495 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315312
Similarity: 0.6522
Similarity to MM315312
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7895 |
| Dice metric | 0.7895 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
