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DocumentationIdentifier: MM293244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293244 |
| SMILES |
CC(CC#N)C(=O)CCO
|
| InChIKey |
DMHDHQWYKULGRU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172505
Similarity: 0.7426
Similarity to MM172505
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172907
Similarity: 0.7129
Similarity to MM172907
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8324 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84872
Similarity: 0.678
Similarity to MM84872
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8081 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
