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DocumentationIdentifier: MM231316
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231316 |
| SMILES |
CC(OCC#N)C(C)(C)O
|
| InChIKey |
DQJGAKAGSYYCPG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132019
Similarity: 0.7944
Similarity to MM132019
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59299
Similarity: 0.7623
Similarity to MM59299
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8651 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221497
Similarity: 0.7227
Similarity to MM221497
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.839 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
