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DocumentationIdentifier: MM58701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58701 |
| SMILES |
CC(CO)C(C)(O)CC#N
|
| InChIKey |
HVZUYGDHAOWWEP-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
MM60387
Similarity: 0.7319
Similarity to MM60387
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8452 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132359
Similarity: 0.6991
Similarity to MM132359
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137472
Similarity: 0.6991
Similarity to MM137472
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
