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DocumentationIdentifier: MM79659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79659 |
| SMILES |
CCC(CO)CC(O)C#N
|
| InChIKey |
LNISQLXAGAYQNW-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244750
Similarity: 0.8426
Similarity to MM244750
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9146 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141624
Similarity: 0.7526
Similarity to MM141624
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326124
Similarity: 0.7426
Similarity to MM326124
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8523 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
