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DocumentationIdentifier: MM68398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68398 |
| SMILES |
CC(=O)CCCOCC#N
|
| InChIKey |
DMIDUHVZUDGGLA-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152634
Similarity: 0.8108
Similarity to MM152634
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287045
Similarity: 0.7531
Similarity to MM287045
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8592 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68397
Similarity: 0.7317
Similarity to MM68397
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8451 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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