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DocumentationIdentifier: MM69345
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69345 |
| SMILES |
CC(CC#N)COCCO
|
| InChIKey |
AQOYXIJGEVWYMW-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155874
Similarity: 0.8533
Similarity to MM155874
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291417
Similarity: 0.8101
Similarity to MM291417
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8951 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165575
Similarity: 0.7467
Similarity to MM165575
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
