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DocumentationIdentifier: MM91605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91605 |
| SMILES |
CC(C#N)OCC=CCO
|
| InChIKey |
GCVZSCHWMGUBNU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167314
Similarity: 0.9275
Similarity to MM167314
| Tanimoto metric | 0.9275 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9624 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91646
Similarity: 0.8421
Similarity to MM91646
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9143 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260494
Similarity: 0.8101
Similarity to MM260494
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8951 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
